We have compiled a list of manufacturers, distributors, product information, reference prices, and rankings for Drug discovery support software.
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Drug discovery support software Product List and Ranking from 6 Manufacturers, Suppliers and Companies

Last Updated： Aggregation Period:Sep 03, 2025～Sep 30, 2025
This ranking is based on the number of page views on our site.

Drug discovery support software Manufacturer, Suppliers and Company Rankings

Last Updated： Aggregation Period:Sep 03, 2025～Sep 30, 2025
This ranking is based on the number of page views on our site.

  1. メルク株式会社ライフサイエンス（シグマ アルドリッチ ジャパン合同会社） Tokyo//Testing, Analysis and Measurement
  2. シュレーディンガー Tokyo//software
  3. フィアラックス Tokyo//software
  4. 4 null/null
  5. 4 ヒューリンクス Tokyo//software
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Drug discovery support software Product ranking

Last Updated： Aggregation Period:Sep 03, 2025～Sep 30, 2025
This ranking is based on the number of page views on our site.

  1. AIDDISON: Harnessing the power of AI for drug discovery screening! メルク株式会社ライフサイエンス（シグマ アルドリッチ ジャパン合同会社）
  2. Presentation of Japanese Language Materials: Target Enablement Service シュレーディンガー
  3. AIDDISON: Harnessing the Power of AI for Drug Design Promotion and Optimization メルク株式会社ライフサイエンス（シグマ アルドリッチ ジャパン合同会社）
  4. Drug discovery support software 'MF myPresto' フィアラックス
  5. 4 A complete platform for successfully leading drug discovery: 'StarDrop' ヒューリンクス

Drug discovery support software Product List

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Drug discovery support software 'MF myPresto'

Drug discovery support software 'MF myPresto'

All operations are GUI-based! Docking simulations can be easily performed.

"MF myPresto" is the graphical user interface (GUI) software for the molecular simulation program myPresto, which is developed at the National Institute of Advanced Industrial Science and Technology. By using this software, molecular dynamics (MD) calculations, docking simulations, and in-silico screenings with myPresto can be easily performed. All operations are GUI-based, so there is no need to memorize command operations. It can be widely used by everyone from beginners to professional users. 【Features】 ■ A suite of molecular simulation calculation programs created to support drug development ■ Converts the two-dimensional structure of compounds into three-dimensional structures ■ Allows for modeling of proteins, drug docking, and in-silico screenings to be conducted with high precision and efficiency in a shorter time compared to conventional methods *For more details, please refer to the PDF document or feel free to contact us.

  • Chemicals
  • Structural Analysis
  • Other analyses

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Life Science Knowledge Bank

Life Science Knowledge Bank

Integration with existing systems is possible! We offer various methods for target exploration.

The "Life Science Knowledge Bank" is software designed to efficiently discover compounds and targets that can serve as drug candidates. It achieves multifaceted target exploration using various methods centered around a unique active database. Furthermore, it allows for easy evaluation of individual targets. Additionally, it can be integrated with existing systems. 【Features】 ■ Equipped with distinctive functions that can be used in various scenarios ■ Achieves multifaceted target exploration using various methods ■ Easy evaluation of individual targets ■ Text mining of various content elements that enable multifaceted exploration ■ Simplifies complex searches *For more details, please refer to the PDF materials or feel free to contact us.

  • Other research software

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Utilizing AI: Building a Platform to Support Drug Discovery Research *Materials Provided

Utilizing AI: Building a Platform to Support Drug Discovery Research *Materials Provided

Contributing to the improvement of productivity in the drug discovery process! Predicting the presence or absence of compound activity using AI for the new discovery of compounds that serve as the basis for drugs.

ExaWizards collaborates with partner companies across various industries to realize open innovation utilizing AI technology. We support the formulation of solutions using AI for individual challenges. Specifically, we provide full support for the entire flow from problem discovery and structuring by staff with backgrounds in strategic consulting to development and implementation by AI engineers. 【Features】 ■Improvement of productivity in the drug discovery process ■Support for physician diagnosis using deep learning *For more details, please contact us or download the PDF to view.

  • Other cell research

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AIDDISON: Harnessing the Power of AI for Drug Design Promotion and Optimization

AIDDISON: Harnessing the Power of AI for Drug Design Promotion and Optimization

Detailed information on features, idea generators, evaluation functions, security, and more!

This document introduces "AIDDISON," developed to facilitate the discovery and optimization process of compounds in drug development. It includes rich information on features such as projects, molecular libraries, and molecular sets, as well as idea generators like similarity search, virtual chemical space, and formoscore search. The content is designed to be easily referenced when considering implementation. Please feel free to download and take a look. 【Contents (partial)】 ■ Introduction ■ Features ■ Idea Generators ■ Evaluation Functions ■ SYNTHIA and Shopping Cart *For more details, please refer to the PDF document or feel free to contact us.

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

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A complete platform for successfully leading drug discovery: 'StarDrop'

A complete platform for successfully leading drug discovery: 'StarDrop'

Achieving improvements in the speed, efficiency, and productivity of the drug discovery process! We quickly provide optimally balanced compounds.

By quickly extracting diverse and excellent compounds, StarDrop operates while evaluating complex data, dramatically reducing the time required for effective lead compound exploration. In evaluating this data, it provides confidence and intuitive clarity for decision-making, guiding and validating the direction of research and which compounds to prioritize. This interactive tool enables you to efficiently open pathways to enhance your chosen chemical properties. 〇 Advantages of StarDrop - Development of more effective drugs By highlighting excellent chemical properties, it leads you to target areas with the greatest potential for multifaceted optimization and success in your research. - Confident decision-making It assists in managing uncertain data specific to drug discovery that arises from experimental variability and predictive errors. - Speeding up compound selection It significantly reduces the time needed to navigate the maze of possibilities and identify excellent lead compounds and candidate drugs. - More results from your research It helps you get the best from all your resources, delivering true value.

  • stardrop_2.png
  • stardrop_3.png
  • Data Mining
  • Other research software
  • Bioinformatics

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AIDDISON+ SYNTHIA Seamless Solution

AIDDISON+ SYNTHIA Seamless Solution

From prediction to non-clinical trials! A complete drug design toolkit.

"AIDDISON + SYNTHIA" is a seamless software solution. Utilizing software integration to discover, optimize, and synthesize new molecules. By matching the generative AI "AIDDISON" for de novo design with the retro-synthetic analysis software "SYNTHIA," we bridge the gap between virtual concepts in chemistry and the real world. 【Features】 ■ Identification of lead compounds ■ Optimization of lead compounds ■ Planning of retro-synthesis ■ Optimization and scale-up *For more details, please refer to the PDF document or feel free to contact us.

  • AIDDISON-Synthia.png
  • AIDDISON＋SYNTHIA２.PNG
  • Software (middle, driver, security, etc.)

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AIDDISON: Harnessing the power of AI for drug discovery screening!

AIDDISON: Harnessing the power of AI for drug discovery screening!

Confirming molecular interactions of desirable drug candidates, a new virtual drug discovery begins here.

AIDDISON" is a platform that combines artificial intelligence (AI) and computer-aided drug design (CADD) tools to integrate virtual screening in medicinal chemistry, scaffold hopping, identification of hit compounds, and optimization of lead compounds into one. Using generative methods and machine learning models trained on experimentally validated ADMET data, it guides the search in ultra-large chemical spaces and the de novo design of synthesizable compounds that resemble drugs. It also incorporates well-known robust chemical transformation rules in the SA-space. 【Features】 ■ De novo molecular design ■ Similarity and pharmacophore model searching ■ Shape-based searching ■ Molecular docking simulations For the synthesis of target compounds, we also recommend the retro-synthesis analysis software "SYNTHIA." *For more details, please refer to the PDF materials or feel free to contact us. If you wish to request a demo, please contact us and indicate "Demo Request.

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

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[Presentation of Materials] Information on Modeling Services

[Presentation of Materials] Information on Modeling Services

We provide advanced technology and expertise to accelerate drug discovery programs.

We offer a wide range of modeling services to accelerate and support your projects at each stage of the drug discovery process. - You can leverage Schrödinger's latest technology on a large scale. - You can utilize the expertise of our computational chemistry specialist team. - This includes all licenses, computational environments, and service hours. ■ Target Functionalization Services We unlock the potential of programs to enable structure-based rigorous drug design. ■ Hit Discovery Services Using the latest virtual screening technologies, we quickly identify a more diverse range of hit compounds. ■ De Novo Design Services We rapidly generate and prioritize novel design ideas that meet project-specific conditions. ■ Structure-Based ADMET Services Through structure-based design, we more efficiently reduce risks related to ADMET. ■ Crystal Structure Prediction Services By identifying the most stable polymorph at room temperature, we reduce risks associated with solid form selection.

  • Embedded OS
  • Other research software
  • Contract Analysis

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Presentation of Japanese Language Materials: Target Enablement Service

Presentation of Japanese Language Materials: Target Enablement Service

Optimize the structure of the target protein for structure-based drug discovery using a series of ligand information.

Save time and resources—leave the preparation of target protein-ligand systems for structure-based drug discovery to us. Whether starting from X-ray structures, cryo-EM structures, AlphaFold predicted structures, or homology models, Schrödinger's scientists will utilize their unique technologies and expertise to optimize and validate protein-ligand complexes for highly accurate structure-based design. ■ Create designable structures that are on-target or off-target ■ Complement your unique insights on targets with our computational chemistry Schrödinger provides extensive expertise gained from addressing challenging targets in structure-based drug discovery using FEP+. ■ We can accommodate starting from template-based homology models, AlphaFold models, incomplete cryo-EM structures, or experimental X-ray structures. *All computational resources, licenses, and working hours necessary for comprehensive evaluation of target proteins and the construction of accurate structural models are included in the service. *For more details, please refer to the catalog.

  • Embedded OS
  • Other research software
  • Contract Analysis

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