多维定量构效关系及药物分子设计研究进展

MULTIDIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS(MD QSAR) AND COMPUTER AIDED DRUG DESIGN (MD CADD):A COMPREHENSIVE REVIEW AND PROGRESS

本文介绍并综述了超分子化学、多维定量构效关系及药物分子设计的发展概况与研究进展。

In this article,the critical review on the researches and developments of multidimensional quantitative structure activity relationships (QSAR,MD QSAR) and computer aided drug design (CADD:MD CAMD) was made,which will be very useful for applying effective information and powerful methodology to development of novel pharmaceuticals and to field of pharmaceutical industries in our country.42 references were cited.Supermolecular chemistry can be employed in the MD QSAR and MD CADD fields.This related subject was discussed as well.