パトコア List of Products and Services

Eureka R&D - IDEAS is an AI-driven innovation support platform that covers the discovery, resolution, verification, and investigation of challenges in research and development, automating tasks that traditionally took weeks to complete in just a few minutes. It utilizes patents, papers, and technical information across various fields to provide seamless support from idea generation to execution planning. 【Features】 ■ Comprehensive support from technical Q&A to problem-solving AI provides evidence-based information and solutions instantly in response to technical questions from R&D environments. ■ Cross-analysis of patents, papers, and news Integrates multiple reliable information sources to quickly extract high-accuracy technical insights. ■ Idea generation support based on TRIZ theory Employs a systematic approach to derive applications from different fields and non-obvious technical solutions. ■ Feasibility assessment and execution plan presentation Clearly visualizes the reality of implementation, costs, and steps for proposed technical solutions. ■ Instant creation of technology and market reports Automates competitive research and technical analysis of new fields, enabling the production of high-quality reports without external outsourcing. *For more details, please request a catalog or contact us with your inquiries.

• Data Search Software

Patsnap Eureka Material is a group of AI agents that dramatically enhances the efficiency of material exploration and alloy research in the fields of chemistry, materials, and metals. Utilizing a unique structured data model (SPUM / MACE) and PatsnapGPT, it automates the search, comparison, and reporting based on physical properties and compositions. It resolves challenges faced by researchers, such as "time for material selection," "information dispersion," and "difficulty in comparison," in just a few minutes. **Features** - Material exploration based on physical properties, compositions, and applications: Narrow down material candidates using numerical filters (e.g., thermal conductivity, tensile strength, etc.). - Structured material data from patents and literature: High-accuracy information extraction is possible with the unique models SPUM and MACE. - Generated report format: Outputs analysis results in a format that can be directly used for proposals and reports, combining text with visual information (such as box plots). - Simple operation by just entering prompts in natural language: No need to create search queries, allowing anyone to conduct specialized material exploration.

• Data Search Software

Eureka LS Suite is a collection of support tools consisting of five AI agents specialized for the pharmaceutical and biotech industries, focusing on drug discovery, intellectual property, competitive analysis, and antibody research. Based on vast amounts of life sciences data such as patents, literature, market information, and sequences, it achieves efficiency in daily operations and accelerates decision-making. AI addresses the information processing challenges faced by experts. **Features** - A group of AI agents specialized in the life sciences field: With a modular structure that caters to specialized tasks in the biotech and pharmaceutical industries, such as drug discovery, antibodies, patents, and competitive research, it delivers outputs directly linked to practical work. - A high-precision database that is updated daily: Life sciences-specific data, including clinical trial and approved drug information, patents, and literature, is continuously updated to ensure analysis accuracy and reliability. - Q&A and document analysis in natural language: The interface is designed to be intuitive, allowing users to operate in a question format without needing specialized knowledge. - Support for unstructured data, automatically extracting insights from vast amounts of information: It can process documents in various formats, including PDFs, reports, and news articles. *For more details, please request a catalog or contact us with your inquiries.*

• Data Search Software

■One of the largest and most reliable databases in the industry GOSTAR TPD is a specialized database that encompasses detailed structural information, activity data, and target protein information for over 51,000 target decomposition inducing agents (TPD) compounds. This product is certified with QMS (Quality Management System) and provides the latest and most reliable data through regular monthly updates. Researchers can quickly identify TPD compounds that meet their objectives using a flexible search function that combines multiple conditions of structure, target, and activity. It significantly reduces the effort of manually searching through vast literature and complex data. GOSTAR TPD dramatically improves the quality and speed of drug discovery research, strongly supporting the discovery of new therapeutic drugs. It provides an environment where complex TPD-related data can be understood simply and deeply, allowing researchers to focus on the core tasks of drug discovery. 【Features】 ■One of the largest domestic databases specializing in TPD structure, activity, and target ■High-quality data updated monthly, compatible with AI drug discovery ■Intuitive search UI maximizes research efficiency *For more details, please refer to the PDF materials or feel free to contact us.*

• Patent/Copyright related services

Enhancing FTO and prior art searches with AI tools, collaboration, and global data. Strong intellectual property intelligence for risk management. Enter a product, invention idea, or the publication number of a patent of interest to search and analyze over 180 million patents and more than 130 million documents from 170 jurisdictions. Supporting innovation defense and new business opportunities. 【Features】 ■ Billions of data points - Seamlessly linking patents, literature, laws, and key data such as value assessment, name standardization, and translation, updated daily. ■ Comprehensive search options - A variety of search functionalities to meet all needs, from rapid image searches to detailed FTO investigations. ■ Facilitating collaboration between IP teams and R&D teams - Streamlining workflows and enhancing collaboration using workspace modules to overcome bottlenecks. ■ Industry-leading analytical tools - Intelligent review tools that cater to all users, allowing for the immediate identification and verification of key details across records or entire datasets.

• Patent/Copyright related services

Chemical is Patsnap's chemical substance search and analysis tool. It identifies chemical substances through searches based on chemical structure, CAS registration, names, and various properties, and organizes and displays related patents, literature, and lists. Furthermore, it seamlessly integrates with the patent analysis application Analytics, enabling one-stop searching and analysis of chemical structures and patents. 【Features】 ■ Comprehensive chemical substance database - Contains over 270 million chemical structures, more than 49 million patents across 113 jurisdictions, and over 25.6 million pieces of literature information. ■ Powerful chemical substance search - Equipped with the widely used Marvin Sketch, allowing for diverse structural searches (exact match, partial match, R-groups, similarity, Markush search - currently only in U.S. jurisdiction). - Searches can also be conducted using keys such as CAS registration numbers, compound names, InChIKey, InChI, and SMILES. ■ Seamless integration with Analytics - Collaborates with the patent analysis platform Analytics to provide detailed analysis of patent information related to identified substances.

• Computational Chemistry

PatSnap's Bio, specialized in the pharmaceutical, biotechnology, and agriculture industries, identifies patent information and a wealth of non-patent literature resources through the search of DNA, RNA, and protein sequences. It integrates with PatSnap's patent search and analysis tool, Analytics, allowing for more detailed patent analysis. Advanced data processing technology and a unique search AI algorithm significantly improve the FTO of biological sequences and reduce the risk of search omissions. 【Features】 ■ Large-scale sequence database Utilizes a highly comprehensive sequence database extracted from millions of patents, literature, and public databases through manual and AI methods. ■ Degenerate sequence search With cutting-edge degenerate search technology and proprietary AI, it enables degenerate sequences with various combinations. This enhances search comprehensiveness and reduces risk. ■ Extensive sequence search options Includes numerous sequence search options such as antibodies, motifs, fragments, and bulk searches of multiple sequences.

• Literature Management

Synapse is a pharmaceutical R&D intelligence research tool that allows you to search for drugs, clinical trials, news, literature, and patents all at once. It supports drug research and development, consideration of licensing, M&A, and joint research partners, as well as marketing decision-making. It can also be used to identify patents and competitive risks, understand disease areas and approval information, promoting R&D efficiency and cost reduction. Currently, some features are available for free trial. 【Features】 ■ Patsnap Copilot Summarizes searched patents and creates reports, answering various questions. ■ Core Patent Organizes and displays information on key patents related to specific drugs (compounds, sequences, combinations, formulations, crystal forms, processes, etc.). Supports competitive patent strategy and third-party IP infringement investigations. ■ Drug Insight Provides the latest trends in drug development for specific disease areas, including indications, R&D status, and approval information. ■ Knowledge Graph Visualizes the relationships of subjects of interest (organizations, diseases, targets) in a knowledge graph, with detailed views available through drill-down. Evaluates reusability and discovers potential partners and competitors. ■ Due Diligence Overview of specific companies, disease areas, modalities, targets, pipelines, ongoing projects, and deals.

• Patent/Copyright related services

"Quick Request" is a testing request system that solves various issues related to test requests and realizes an efficient laboratory. It can manage the increasing number of compounds, diversifying and complicating tests, and various other tasks all in one system. Not only can you visually confirm the tests you are handling, but by consolidating communication channels between the requesting department and the testing department, it is possible to prevent communication and coordination errors in advance. 【Features】 ■ Flexible workflow ■ Access control tailored to operational forms ■ Visualization of testing status ■ Various options to enhance usability *For more details, please refer to the PDF materials or feel free to contact us.

• Other IT tools

Marvin has achieved a user-friendly interface that can instantly convert users' thoughts into visual representations by combining top-level chemical intelligence with the latest front-end frameworks. It is not only capable of drawing structures easily and efficiently but also serves as an ideal solution for users who want to create beautiful and attractive illustrations. It enables the efforts spent on research to be quickly transformed into high-quality chemical drawings. 【Features】 ■ Publication-level visual quality ■ Accurate and rapid drawing of structural formulas and chemical schemes through chemical intelligence ■ High-performance web components *For more details, please refer to the PDF materials or feel free to contact us.

• Other production and development software and systems

Standard knowledge bases often cannot solve the specific challenges faced by customers. Excelra's senior experts and consultants understand the specific issues of customers and provide tailored solutions that meet their precise needs. Excelra has the expertise and experience to extract, structure, and organize unstructured data, transforming it into high-quality formats suitable for analysis, enabling data-driven decision-making based on information in drug discovery. When handling customer data, we adhere to the highest standards of data privacy and confidentiality, as proven by over a decade of partnerships with top-tier pharmaceutical companies and scientific publishers. We respond flexibly to short turnaround jobs without compromising on quality.

• Other contract services
• Contract Analysis

●Unmatched data quality and scale GOSTAR is one of the world's largest databases of low molecular weight compounds, curated manually by top experts. It is organized, integrated, and updated through manual curation, allowing for immediate use in analysis and AI model development. By using GOSTAR, you can free yourself from the tasks of collecting and organizing data, enabling you to focus your valuable time on the most important research activities. GOSTAR is one of the largest low molecular SAR databases in the world, containing approximately 9 million low molecular weight compounds and nearly 30 million SAR data points. The database is built from 80,000 patents filtered from about 40 million and 200,000 research articles filtered from about 10 million, with data extracted through manual work by experts and standardized and structured based on specified rules. 【Features】 ■ A centralized data source for one of the largest low molecular SAR information collections in the world ■ Automatically adjusted for display based on the type of ligand, making it easy to read ■ Sortable by any data column and color-coded based on values *For more details, please refer to the PDF materials or feel free to contact us.*

• Patent/Copyright related services

We would like to introduce a case study of the system handled by Patocoa Co., Ltd. Eisai Co., Ltd. has been facing an increasing need to determine the presence or absence of legal regulations before engaging in activities such as the synthesis of chemical substances, the purchase of compounds, and import/export, amid strengthened regulations regarding the handling of chemical substances. To address this, they implemented the regulatory substance check system "CRAIS Checker," along with "CRAIS Reagent" and "SMARTS." As a result, they were able to comprehensively solve the challenges of managing increasingly complex chemical substances. 【Implemented Products】 ■ CRAIS Checker: Regulatory Substance Check System ■ CRAIS Reagent: Reagent Management System ■ SMARTS: Reagent Catalog Database ■ Plexus Connect: Web-based Core System for Drug Discovery Research *For more details, please refer to the related links or feel free to contact us.

• Other production management systems

"Crais Checker Cloud" is a cloud version of the regulatory check system CRAIS Checker, widely used by pharmaceutical and chemical companies, designed for easy access. With just a computer connected to the internet, you can instantly draw structural formulas and check for conflicting regulations. Compared to setting up a system in-house, there is no need for IT personnel to manage hardware investments or operations, making it easy and cost-effective for venture companies and small chemical import trading firms to strengthen and streamline their compliance with chemical substance management regulations. The regulations supported and the accuracy of regulatory checks are the same as CRAIS Checker, and it also accommodates new substances and comprehensive regulations. ◆NEW◆ Supports the 30-year storage requirement for carcinogenic substances. 【Features】 ■ Achieves high-precision regulatory substance verification with extremely few false positives ■ High reliability supported by a large user base ■ Rapid response to legal amendments ■ Accurately processes chemical structures with various notations ■ Accommodates ambiguous regulatory structures and comprehensive regulations ■ Easily integrates with in-house systems such as electronic lab notebooks and reagent management *For more details, please refer to the catalog or feel free to contact us.

• Software (middle, driver, security, etc.)

KNIME is a user-friendly graphical workbench for the entire analysis process, including data access, data transformation, initial investigation, powerful predictive analytics, visualization, and reporting. It is designed for general purposes, not limited to the field of drug discovery, and the basic setup includes common functionalities across many fields. At the same time, there are many extension tools related to cheminformatics and bioinformatics, which are widely used, especially for chemical structure management and analysis that are particularly useful in the early stages of drug discovery. [Features] - Researchers can utilize ChemAxon tools within KNIME workflows. - Designed for general purposes, not limited to the field of drug discovery. - Widely used for chemical structure management and analysis, especially useful in the early stages of drug discovery. *For more details, please refer to the related links or feel free to contact us.*

• Software (middle, driver, security, etc.)

The "Markush search" is an add-on for JChem Base, JChem Cartridge, and Instant JChem that registers Markush structures used in patent applications in a database, enabling substructure searches and exact match searches without enumeration. By using two tools from the Markush Enumeration plugin, it significantly simplifies the analysis of complex Markush structures and browsing of the chemistry space described by Markush structures. Additionally, it implements an import function for DARC format, allowing the use of the patent database MMS provided by Thomson Reuters. 【Features】 ■ Enables substructure searches and exact match searches ■ Significantly simplifies browsing of the chemistry space ■ Implements an import function for DARC format ■ Allows access to the patent database MMS provided by Thomson Reuters *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Document to Structure (D2S)" is a tool designed to easily extract various chemical information from documents. It also supports "Non Text PDF," making it possible to significantly enhance the efficiency of chemical patent analysis tasks. You can use it for analyzing patent documents, literature, websites, and other MS Office documents. 【Features】 ■ Recognizes a wide range of chemical information ■ Supports a wide variety of document formats ■ Achieves more accurate conversion with a unique algorithm that automatically corrects typical OCR errors ■ Can identify the exact location of information within documents ■ Particularly powerful in analyzing patent documents by supporting image PDFs (integration with external tools) ■ Available for use with a wide range of applications, including Instant JChem and JChem for EXCEL *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Name to Structure" is a chemical text mining tool that generates chemical structures from IUPAC names, CAS numbers, common names, and more. It can also convert names to chemical structures using command-line tools like Molcovert and cxcalc, and it is possible to incorporate conversion functionality into custom applications using an API. Additionally, Document to Structure can be accessed via API and command line, recognizing chemical names within HTML, text, and PDF files and converting them into structures. 【Features】 <Document to Structure Add-on> ■ Not only recognizes chemical names and converts them into structures, but also retrieves the location information of chemical names within files. ■ The API is implemented in the free service chemicalize.org, used to find chemical names within web pages and convert them into structures. ■ Integrated with Knime, enabling automation of text mining. *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Structure to Name" is a chemical text mining tool that generates common names or chemical names based on the 2004 IUPAC nomenclature recommendations (International Union of Pure and Applied Chemistry). It can be utilized through Marvin Sketch, Marvin View, batch calculations using the command line tool (cxcalc), ChemAxon Chemical Terms, Instant JChem, or through custom programs via API. Please feel free to contact us if you have any inquiries. 【Features】 ■ Generates common names or chemical names based on the 2004 IUPAC nomenclature recommendations from structural formulas ■ Available through Marvin Sketch and custom programs via API *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Reactor" is software for creating virtual libraries. It adopts a unique approach that not only creates virtual molecules but also generates compounds that are chemically meaningful and have a high potential for synthesis. A library of over 230 reactions built by chemistry experts is provided and readily available. This reaction library has been thoroughly reviewed iteratively to ensure accuracy and reliability. The reaction library uses Chemical Terms that can be employed for searching and setting conditions, allowing for the generation of compounds with a high likelihood of being synthesized by evaluating reactivity and selectivity. 【Features】 ■ Support for multi-step reactions ■ Virtual reactions in sequential mode and combinatorial mode ■ Support for various file formats ■ Fast generation of virtual libraries *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

The "Structure Checker" is a chemical structure validation tool that detects errors in structural formulas that may cause potential issues and performs repairs. It also features a manual mode that displays problematic structures, allowing users to make manual corrections. Additionally, with a simple wizard guide, detailed settings can be easily configured, and it can be integrated into business applications such as compound registration systems. 【Features】 ■ Scans for errors in structural formula drawings and repairs issues ■ Automatic corrections address various problems ■ Generation of validation reports is also possible ■ Detailed settings are easily configured with a simple wizard guide ■ Usable via command line and API *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

The "Standardizer" is a module for structural formula standardization that converts structural formulas in various notation methods into a standard notation based on rules. It includes functions such as the conversion of mesomers, tautomer conversions, ungrouping, and the removal of salts and solvents. By standardizing the structural formulas registered in the database, reliable and efficient searches become possible. 【Features】 ■ Converts structural formulas in various notation methods into a standard notation based on rules ■ Enables reliable and efficient searches ■ Equipped with various conversion functions *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

The "JChem PostgreSQL Cartridge" is a chemistry engine that adds chemical database management and structure search capabilities to PostgreSQL. By integrating with PostgreSQL, it enables handling of chemical data using SQL language. It serves as a chemical database engine that combines scalability suitable for data management from personal databases to enterprise-level, along with high cost performance. 【Features】 ■ Rich functionality ■ Reliable free database management system for chemical structure management ■ Scalable chemical engine ■ Provides group-level solutions at low cost *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

The "JChem Cartridge for ORACLE" is a drug discovery IT platform that enables users to perform various searches in Oracle. In SQL SELECT statements, by combining structural conditions with Calculator Plugins, it is possible to specify conditions such as predicted physical property values like LogP for searches. Additionally, by providing chemical knowledge to Oracle, users can search for chemical structures and chemical reaction equations using SQL, as well as perform chemical calculations based on structural formulas. 【Features】 ■ Users can perform various searches in Oracle ■ It is possible to specify conditions for searches, such as predicted physical property values like LogP ■ By providing chemical knowledge to Oracle, users can search for chemical structures and chemical reaction equations using SQL, and perform chemical calculations based on structural formulas *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"JChem Base" is a structure search engine equipped with a high-speed search algorithm. It supports exact match searches, substructure searches, similarity searches, superstructure searches, reaction searches, and handling of Markush structures. Additionally, during these searches, complex queries can be used, including atom lists, not lists, superatoms, hydrogen counts, and aromatic/aliphatic atoms. 【Features】 ■ Supports fast and advanced structure/reaction searches ■ Supports various relational databases ■ Provides a highly efficient API for development ■ Accessible from various clients ■ Searches using combinations of chemical parameters (chemical terms) *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Marvin Sketch" is a Java-based structure drawing tool. With intuitive operations, it allows for the drawing of structures, reactions, and queries. It can be used as a standalone drawing tool, and it can also be integrated into web applications and custom applications. 【Features】 ■ Intuitive operations enable the drawing of structures, reactions, and queries ■ Supports reading and writing various file formats ■ Can copy and paste from Chem Draw Pro, ISIS/Draw, and others ■ Marvin supports various structure data formats *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

The long-selling chemical add-in "JChem for Excel" has been renewed as "JChem for Office," which now supports not only Excel but also Word, PowerPoint, OneNote, and Outlook Mail. It is compatible with Microsoft Office 2010, 2013, and 2016. The previous Excel chemical add-in was heavy and lacked stability, but with this product, you can handle large volumes of chemical data more efficiently. 【Features】 ■ Ability to load data from projects selected in Instant JChem ■ Can import datasets from Oracle and MySQL databases ■ Usable for extracting chemical information from patent documents, etc., through integration with Document to Structure ■ KNIME nodes and PP components are also available for handling JChem for Excel workbooks in batch mode *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"JChem for Office Lite" is a lightweight desktop application that allows users to utilize "live structures" seamlessly within MS Office. Users can choose their favorite chemical editor for displaying and editing chemical structures. It is suitable for users who simply want to copy and paste chemical structures from the editor into Office applications, and the pasted structures can be edited seamlessly just like in JChem for Office. 【Features】 - Operates lightly and smoothly by eliminating the ribbon and advanced chemical function options of JChem for Office. - Uses a suitable renderer for the given format. - Applies renderer-specific drawing styles regardless of the structure format. - Changing the renderer and editor can be easily done from the context menu. *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"SARvision SM" is software that supports chemists in one of their important tasks: the examination of structure-activity relationships. With its unique Maximum Common Substructure (MCS) extraction engine, it can classify chemical structure data by scaffold, making SAR analysis easier. Scaffold-based data mining allows for evaluations that are closer to a chemist's intuition compared to descriptor-based clustering, proving effective in assessing screening data and formulating synthetic strategies during the Hit to Lead and lead optimization stages. 【NEW!】 A PROTAC analysis module has been released, allowing for routine and easy execution of SAR studies for bivalent ligands. For details, please visit the product page. 【Features】 ■ Automatically extracts common substructures from a group of structural formulas and presents a tree classified by scaffold. ■ Sorts scaffolds by physical properties or activity data, and allows dynamic filtering using sliders. ■ Rich graphic features (bar graphs, 2D scatter plots, 3D scatter plots). *For more information, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Instant JChem Standard" is a desktop application for managing chemical information in a local database. With simple operations, you can build a chemical database and perform import, export, browsing, structure/reaction searches, and editing. By adding a license for CalculatorPlugins, you can use property calculation functions such as pKa and logP within Instant JChem, allowing property values to be calculated the moment a structure is registered. 【Features】 ■ Build a chemical database with simple operations ■ Import, export, browse, search structures/reactions, and edit ■ Use property calculation functions such as pKa and logP within Instant JChem, with property values calculated the moment a structure is registered ■ Ability to incorporate structure standardization functions *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

"Plexus Connect" is the central component of the tool "Plexus Suite," which allows for the display, search, and analysis of scientific data. It provides a multi-user web access environment to the Instant JChem (IJC) database. The grid view or form view generated in IJC can be opened in a browser and supports most IJC widgets. You can view, sort, and search chemical structures and alphanumeric data, as well as save lists of queries and search results. 【Features】 ■ Central component of Plexus Suite ■ Can be opened in a browser and supports most IJC widgets ■ Allows viewing, sorting, and searching of chemical structures and alphanumeric data, as well as saving lists of queries and search results *For more details, please refer to the related links or feel free to contact us.

• Software (middle, driver, security, etc.)

Design HUB is a groundbreaking information platform that integrates "hypothesis-driven" and "data-driven" approaches to streamline the DMTA (Design, Make, Test, Analyze) cycle in the early stages of drug discovery. It also functions as a content hub, enhancing the efficiency and success rate of the entire drug discovery process. Furthermore, it provides secure information-sharing capabilities to facilitate collaboration with external CROs and universities, supporting the efficient advancement of project tasks. **Features** - **Compound Design and Real-Time Analysis** - Can be used as a personal workstation or for brainstorming among multiple scientists - Displays real-time information on the properties of drawn structures and known similar compounds - Rapidly reviews ideas through comparisons and filtering with existing compound library data, as well as examining pharmacophore models by drawing three-dimensional structures *For more details, please refer to the PDF materials or feel free to contact us.*

• Software (middle, driver, security, etc.)

JChem Engines provides advanced implementations for displaying, searching, saving chemical structures, and managing both structural and non-structural data. The data management functionality is a core engine widely embedded throughout a diverse range of ChemAxon applications, providing a fast and invisible backbone that research information science systems rely on. It delivers "chemical intelligence" on the backend, storing chemical information in various database management systems. It offers advanced features for processing chemical structures, including complex structure and reaction searches. [Features] - Provides a fast and invisible backbone that research information science systems rely on - Delivers "chemical intelligence" on the backend - Stores chemical information in various database management systems - Offers advanced features for processing chemical structures *For more details, please refer to the PDF materials or feel free to contact us.

• Other network tools

"Compound Registration" is a system built on a series of web services. For new low molecular weight compounds, it compares them with compounds already stored in the database to confirm uniqueness and assigns compound numbers and lot numbers. The determination of uniqueness is carried out according to the business logic of the configurable companies. 【Features】 ■ A system built on a series of web services ■ Includes a database designed to store related structural information and accompanying data ■ If issues cannot be automatically resolved, they are classified into a staging area ■ Upon successful registration, compounds can be stored in a three-level hierarchy *For more details, please refer to the PDF materials or feel free to contact us.

• Software (middle, driver, security, etc.)

The "Compliance Checker" combines a software system with a regulatory database, providing a quick and easy way to check which laws and regulations apply to the compounds under investigation in various countries, ensuring proper handling of compounds in accordance with relevant laws in each country. It is used by many users, including pharmaceutical companies, CROs, and reagent suppliers, and we continuously improve the system by reflecting feedback from these customers. 【Features】 ■ Check global drug regulations from structures (related laws from 18 countries and 5 international regulations) ■ Easy system integration and scalability ■ Intuitive GUI *For more details, please refer to the PDF document or feel free to contact us.

• Other production management systems

"Instant JChem Enterprise" is a desktop application for managing, searching, referencing, and analyzing chemical information such as reaction equations and structural formulas, along with related information. It functions as a front-end for corporate databases like ORACLE, and it is also possible to build a local database on your PC. With simple operations, you can create a chemical database, and perform import, export, browsing, structure/reaction searches, and editing. 【Features】 - Build a chemical database with simple operations - Capable of import, export, browsing, structure/reaction searches, and editing - Property calculation functions such as pKa and logP are available within Instant JChem - Property values can be calculated the moment a structure is registered - Structure standardization functions can be incorporated *For more details, please refer to the PDF materials or feel free to contact us.

• Software (middle, driver, security, etc.)

PatCore provides a series of business logic necessary for compound registration as a web service. 'PatRegi|SM' flexibly accommodates various business policies of different companies through detailed configuration features. Requirements definition and business rules are templated, allowing for system implementation in a short period. 【Features】 ■ Flexible response to diverse business policies through detailed configuration features ■ Well-suited for compound registration from electronic lab notebooks ■ Linked with the regulatory check system CRAIS Checker ■ Manual registration from Instant JChem and bulk registration from SDF are possible *For more details, please refer to the PDF document or feel free to contact us.

• Software (middle, driver, security, etc.)

The "cHemTS" system can instantly identify and verify HS codes from chemical structural formulas. ◎ It can be identified even without knowing the official IUPAC name or CAS number. ◎ Even for new chemical substances, as long as there is a structural formula, the HS code can be identified. ◎ It allows for bulk checking of multiple structures. These features enable the identification of HS codes for chemicals to be carried out quickly and easily, even without specialized knowledge. <Currently, we are distributing materials that clearly introduce the benefits of this system!> 【Overview of the materials】 ■ What is an HS code? ■ Challenges in HS code investigation for chemicals ■ Various features of cHemTS - Easy to use even for non-chemists - Promotion of system integration and automation through API - Business advantages - Security and confidentiality - Countries and regions supported *Please view the product materials along with the "PDF download."

• Software (middle, driver, security, etc.)

Patocoa handles the "Elemental Analysis Group," which is suitable for basic items such as molecular weight and chemical formula. Calculates and displays values related to the elemental composition of molecules. Available with a Marvin license. 【Values calculated and displayed (excerpt)】 ■Mass: molecular mass ■Exact mass: molecular mass calculated from the most frequent natural isotopes of the elements ■Formula: chemical formula of the molecule 【Usage forms】 ■As a plugin for Marvin Sketch ■As a cxcalc command-line tool ■As a feature of Chemical Terms ■Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.

• Software (middle, driver, security, etc.)

Patocoa handles the 'Structural Calculations Group', which is suitable for calculations of charge, conformer generation, localized energy, and more. We offer a lineup that includes the "Charge Plugin," which can calculate partial charges, polarizability, and electronegativity, as well as the "Conformation Plugin" and "Geometry Plugin." 【Features】 ■ Charge Plugin: Calculation of partial charges, polarizability, and electronegativity ■ Conformation Plugin: Generation of conformers, superposition, and MD calculations ■ Geometry Plugin: Calculation of various geometric parameters of molecules *For more details, please refer to the PDF materials or feel free to contact us.

• Software (middle, driver, security, etc.)

The prediction of NMR spectra plays an important role in the validation of structures and the description of molecules. The "NMR Group" predicts 1H and 13C NMR spectra for organic compounds. 【Features】 ■ The prediction of NMR spectra plays an important role in the validation of structures and the description of molecules. ■ Predicts 1H and 13C NMR spectra for organic compounds. *For more details, please refer to the PDF document or feel free to contact us.

• Software (middle, driver, security, etc.)

Solubility is one of the key factors in drug discovery that determines the absorption and distribution of molecules, and therefore is always a target for optimization. For this reason, high-precision solubility prediction tools are extremely important in the early stages of development. 【Features】 ■ Predicts solubility based on the topology of the input molecule ■ Calculates solubility at various pH levels ■ Convenient for cases where only rough predictions are needed ■ Demonstrated very high-precision prediction results *For more details, please refer to the PDF document or feel free to contact us.

• Software (middle, driver, security, etc.)

Patocoa handles the 'Isomers Group' suitable for the generation of tautomers, stereoisomers, and resonance structures. Many compound databases are composed of 2D structures with incomplete information on stereochemistry and tautomers, which inevitably leads to ambiguities in stereochemistry and tautomerism when converting these compounds into 3D. The enumeration of tautomers and stereoisomers is essential for applications in virtual screening such as docking, 3D searching, and 3D-QSAR. 【Lineup】 ■ Stereoisomer Plugin: Generates stereoisomers ■ Tautomer Plugin: Calculates tautomers ■ Resonance: Generates resonance structures *For more details, please refer to the PDF materials or feel free to contact us.

• others

The "Partitioning Group" can predict the pH-dependent logD value in addition to the water/octanol partition coefficient. Predictions are based on the improved methods of Viswanadhan et al. for both logP and logD. The modifications applied include the redefinition of selected atom types (particularly sulfur, carbon, nitrogen, and metal atoms) to adjust for electronic delocalization and consideration of ionization forms. 【Features】 ■ Predicts pH-dependent logD values in addition to the water/octanol partition coefficient ■ Predictions are based on the improved methods of Viswanadhan et al. for both logP and logD ■ The logP value of zwitterions is calculated from logD at the isoelectric point ■ Just as logD values are pH-dependent, logD calculations rely on methods for predicting pKa *For more details, please refer to the PDF document or feel free to contact us.

• Software (middle, driver, security, etc.)

Our company handles "Protonation groups" suitable for predictions such as pKa (acid-base dissociation constant). We offer a lineup including the high-precision pKa calculation program "pKa," "Microspecies" for predicting major structures at specific pH levels, and "Isoelectric point" for calculating isoelectric points. 【Lineup】 ■ pKa: High-precision pKa calculation program ■ Microspecies: Predicts major structures at specific pH levels ■ Isoelectric point: Calculation of isoelectric points *For more details, please refer to the PDF materials or feel free to contact us.

• Software (middle, driver, security, etc.)