Journal Highlight: Methods of studies on quantitative structure–activity relationships for chiral compounds

Methods of studies on quantitative structure–activity relationships for chiral compounds

Journal of Chemometrics, 2012, 26, 497-508
Qing-You Zhang, Li-Zhuang Xu, Jing-Ya Li, Dan-Dan Zhang, Hai-Lin Long, Ji-Yan Leng, Lu Xu

Abstract: 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.

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