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Machine Learning for Drug Discovery

Marcelo C. R. MeloJacqueline R. M. A. MaaschCesar de la Fuente-Nunez

出版	American Chemical Society, 2022-03-11
主題	Computers / Data Science / Machine LearningScience / Chemistry / ClinicalScience / Chemistry / Computational & Molecular Modeling
ISBN	08412992349780841299238
URL	http://books.google.com.hk/books?id=E9JjEAAAQBAJ&hl=&source=gbs_api
EBook	SAMPLE

註釋

Machine Learning for Drug Discovery is designed to suit the needs of graduate students, advanced undergraduates, chemists or biologists otherwise new to this research domain with minimal previous exposure to Machine Learning (ML) methods, or computational scientists with minimal exposure to medicinal chemistry. The e-book covers basic algorithmic theory, data representation methods, and generative modeling at a high level. The authors spotlight antibiotic discovery as a case study in ML for drug development and discuss diverse applications in drug-likeness prediction, antimicrobial resistance, and areas for future inquiry. For a more dynamic learning experience, open-source code demonstrations in Python are included.