Ontology highlight
ABSTRACT:
SUBMITTER: Zhang H
PROVIDER: S-EPMC6695194 | biostudies-literature | 2019 Aug
REPOSITORIES: biostudies-literature
Zhang Huikun H Ericksen Spencer S SS Lee Ching-Pei CP Ananiev Gene E GE Wlodarchak Nathan N Yu Peng P Mitchell Julie C JC Gitter Anthony A Wright Stephen J SJ Hoffmann F Michael FM Wildman Scott A SA Newton Michael A MA
PLoS computational biology 20190805 8
Prediction of compounds that are active against a desired biological target is a common step in drug discovery efforts. Virtual screening methods seek some active-enriched fraction of a library for experimental testing. Where data are too scarce to train supervised learning models for compound prioritization, initial screening must provide the necessary data. Commonly, such an initial library is selected on the basis of chemical diversity by some pseudo-random process (for example, the first few ...[more]