ADMET-AI: a machine learning ADMET platform for evaluation of large-scale chemical libraries

The emergence of large chemical repositories and combinatorial chemical spaces, coupled with high-throughput docking and generative AI, have greatly expanded the chemical diversity of small molecules for drug discovery. Selecting compounds for experimental validation requires filtering these molecul...

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Vydané v:	Bioinformatics (Oxford, England) Ročník 40; číslo 7
Hlavní autori:	Swanson, Kyle, Walther, Parker, Leitz, Jeremy, Mukherjee, Souhrid, Wu, Joseph C, Shivnaraine, Rabindra V, Zou, James
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England Oxford University Press 01.07.2024
Predmet:	Applications Note Drug Discovery - methods Machine Learning Small Molecule Libraries - chemistry Software
ISSN:	1367-4803, 1367-4811, 1367-4811
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