Premium
Inside Cover: From Structure–Activity to Structure–Selectivity Relationships: Quantitative Assessment, Selectivity Cliffs, and Key Compounds (ChemMedChem 11/2009)
Author(s) -
Peltason Lisa,
Hu Ye,
Bajorath Jürgen
Publication year - 2009
Publication title -
chemmedchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200990052
Subject(s) - selectivity , chemistry , potency , cover (algebra) , stereochemistry , structure–activity relationship , combinatorial chemistry , biochemistry , in vitro , mechanical engineering , engineering , catalysis
The inside cover picture shows two inhibitors of cathepsin (cat) L and B that are structural analogues but have different potency and selectivity against the two targets. Analysis of similarity and potency or selectivity distributions in molecular networks elucidates structure–activity and structure–selectivity relationships and identifies compounds forming activity and selectivity cliffs. For more details, see the Full Paper by J. Bajorath et al. on p. 1864 ff.