Efficient Exploration of Chemical Space with Docking and Deep Learning

With the advent of make-on-demand commercial libraries, the number of purchasable compounds available for virtual screening and assay has grown explosively in recent years, with several libraries eclipsing one billion compounds. Today's screening libraries are larger and more diverse, enabling...

Full description

Bibliographic Details

Published in:	Journal of chemical theory and computation Vol. 17; no. 11; p. 7106
Main Authors:	Yang, Ying, Yao, Kun, Repasky, Matthew P, Leswing, Karl, Abel, Robert, Shoichet, Brian K, Jerome, Steven V
Format:	Journal Article
Language:	English
Published:	09.11.2021
ISSN:	1549-9626, 1549-9626
Online Access:	Get more information
Tags:	Add Tag No Tags, Be the first to tag this record!