• Data integration and AI-driven drug discovery

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• Protein-ligand free-energy calculations using GENESIS

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• 健康・医薬研究の基盤としてのデータ統合と人口知能活用

More information is available at the following links.

• Artificial intelligence-based drug discovery: challenges and applications to target identification and pharmacokinetic modelling

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• Development of DruMAP, Drug Metabolism and pharmacokinetics Analysis Platform
• Development of in silico prediction models to evaluate pharmacokinetic profiles using chemical structure information

More information is available at the following links.

• P5-06 (Development of a pharmacokinetics prediction system using multiscale integrated modeling: 13. Development of DruMAP, Drug Metabolism and pharmacokinetics Analysis Platform)
• P5-07 (Development of a pharmacokinetics prediction system using multiscale integrated modeling: 14. In silico three-class predictor of human intestinal absorption with Caco-2 permeability and dried-DMSO solubility)
• P5-08 (Development of a pharmacokinetics prediction system using multiscale integrated modeling:15. Development of an in silico prediction system of human renal excretion and clearance from chemical structure information)
• P6-09 (Computational drug target prediction using PU learning approach)

More information is available at the following links.

• "Data integration and computational systems approaches to drug discovery"

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• Analysis of oral microbiota in Japanese oral cancer patients using 16S rRNA sequencing

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• Data integration as a basis for artificial intelligence in drug discovery

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• 構造インフォマティクスの基礎

More information is available at the following links.