[Development of drug discovery support system using chemoinformatics and generative AI technology].

Area of Science:

• Artificial Intelligence
• Chemoinformatics
• Drug Discovery

Background:

• Generative AI has advanced rapidly, enabling applications like machine translation and code generation.
• Generative AI and chemoinformatics are increasingly applied in drug discovery for compound generation and optimization.
• AI in drug discovery promises to overcome traditional challenges and enhance success rates.

Purpose of the Study:

• To introduce ITM, Inc.'s drug discovery support system.
• To highlight the integration of artificial intelligence (AI) and chemoinformatics.
• To focus on the application of generative AI in the drug discovery process.

Main Methods:

• Utilizing generative AI for seed/lead compound generation.
• Employing chemoinformatics for compound optimization.
• Developing an integrated drug discovery support system.

Main Results:

• Successful cases of generative AI and chemoinformatics in drug discovery have been reported.
• ITM, Inc. is developing a system combining AI and chemoinformatics.
• The technology aims to solve previously intractable problems in drug discovery.

Conclusions:

• Generative AI offers significant potential to improve drug discovery success rates.
• ITM, Inc.'s approach integrates cutting-edge AI and chemoinformatics.
• The described technology is poised to advance in silico drug discovery.