Special Issue: Chemoinformatics

Molecules

Peter Willett¹ 

[1] Information School, University of Sheffield, 211 Portobello, Sheffield S1 4DP, UK;

关键词: chemoinformatics;    docking;    force-field parameter;    ligand-based virtual screening;    molecular dynamics;    molecular similarity;    pharmacophore;    structure-activity relationships;    virtual screening;   

DOI  :  10.3390/molecules21040535

来源: DOAJ

【 摘 要 】

Chemoinformatics techniques were originally developed for the construction and searching of large archives of chemical structures but they were soon applied to problems in drug discovery and are now playing an increasingly important role in many additional areas of chemistry. This Special Issue contains seven original research articles and four review articles that provide an introduction to several aspects of this rapidly developing field.

【 授权许可】

Unknown