Ontology highlight
ABSTRACT:
SUBMITTER: Ding P
PROVIDER: S-EPMC5750839 | biostudies-literature | 2017 Jan
REPOSITORIES: biostudies-literature
Ding Peng P Yan Xin X Liu Zhihong Z Du Jiewen J Du Yunfei Y Lu Yutong Y Wu Di D Xu Yuehua Y Zhou Huihao H Gu Qiong Q Xu Jun J
Database : the journal of biological databases and curation 20170101
Identifying protein targets for a bioactive compound is critical in drug discovery. Molecular similarity is a main approach to fish drug targets, and is based upon an axiom that similar compounds may have the same targets. The molecular structural similarity of a compound and the ligand of a known target can be gauged in topological (2D), steric (3D) or static (pharmacophoric) metric. The topologic metric is fast, but unable to represent steric and static profile of a bioactive compound. Steric ...[more]