AI Drug Discovery: An Overview of Recent Developments in Small Molecule Drug Discovery
【紹介文献】
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor
Ren et al., 2022, arXiv:2201.09647v2
Highly accurate protein structure prediction with AlphaFold
Jumper et al., 2021, Nature
Multi-State Modeling of G-protein Coupled Receptors at Experimental Accuracy
Heo and Feig, 2022, Proteins
https://onlinelibrary.wiley.com/doi/10.1002/prot.26382
など、多数。
【発表概要】
この１０年のAI・機械学習の進歩に伴って、様々な産業分野で応用が試みられている
創薬においては、特に低分子創薬に関わるタスクにおいて活発に研究が進められている
本発表では、一般的なAI・機械学習の技術の概要を紹介した後に、創薬においてのAIや機械学習を活用した代表的な事例を紹介する
【Summary】
With the advances in AI and machine learning over the past decade, applications are being attempted in a variety of industrial fields.
In drug discovery, research has been particularly active in tasks related to small molecule drug discovery.
In this presentation, we will provide an overview of AI and machine learning technologies in general, and then introduce some typical examples of AI and machine learning applications in drug discovery.
(2022.6.16 Shonan iPark Science Cafe 117th)
