Dataset Information
Increasing the public activity cliff knowledge base with new categories of activity cliffs.
Ontology highlight
ABSTRACT:
SUBMITTER: Hu H
PROVIDER: S-EPMC7273365 | biostudies-literature | 2020 Apr
REPOSITORIES: biostudies-literature
Publications
Increasing the public activity cliff knowledge base with new categories of activity cliffs.
Future science OA 20200415 5
<h4>Aim</h4>Extending the public knowledge base of activity cliffs (ACs) with new categories of ACs having special structural characteristics.<h4>Methodology</h4>Dual-site ACs, isomer ACs and ACs with privileged substructures are described and their systematic identification is detailed.<h4>Exemplary results & data</h4>More than 7400 new ACs belonging to different categories with activity against more than 200 targets were identified and are made publicly available.<h4>Limitations & next steps</ ...[more]