パトコア List of Products and Services

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.

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.

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.

"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.

"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.

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.

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.

"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.

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.*