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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Bibliographic Details

Published in:	Bioinformatics (Oxford, England) Vol. 40; no. 7
Main Authors:	Swanson, Kyle, Walther, Parker, Leitz, Jeremy, Mukherjee, Souhrid, Wu, Joseph C, Shivnaraine, Rabindra V, Zou, James
Format:	Journal Article
Language:	English
Published:	England Oxford University Press 01.07.2024
Subjects:	Applications Note Drug Discovery - methods Machine Learning Small Molecule Libraries - chemistry Software
ISSN:	1367-4803, 1367-4811, 1367-4811
Online Access:	Get full text
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