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Methods of studies on quantitative structure–activity relationships for chiral compounds
Author(s) -
Zhang QingYou,
Xu LiZhuang,
Li JingYa,
Zhang DanDan,
Long HaiLin,
Leng JiYan,
Xu Lu
Publication year - 2012
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.2464
Subject(s) - chirality (physics) , topological index , chemistry , enantioselective synthesis , computational chemistry , stereochemistry , combinatorial chemistry , organic chemistry , physics , chiral anomaly , catalysis , quantum mechanics , fermion , nambu–jona lasinio model
Chiral compounds are very important in drug development, organic synthesis, materials science, toxicology, or environmental chemistry. Therefore, for creating new drugs, several methods have been suggested in recent years. In several laboratories in the world, some new methods for the derivations of the parameters were constructed and used for studies on quantitative structure–activity/property relationships of chiral molecules. The algorithms reviewed in this paper involve Zargeb group chiral indices, chiral molecular connectivity index, chiral topological charge index, chiral A m index, chiral indices based on the matrixes, chiral indices based on chiral product, conformation‐independent chirality code, conformation‐dependent chirality code, quantitative two‐dimensional chirality degrees of benzenoids, and so on. Copyright © 2012 John Wiley & Sons, Ltd.