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A 3D-QSAR Study on a Novel Chromanol Class of I_ (Ks) Potassium Channel Blockers
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作者 杜吕佩 李敏勇 +1 位作者 夏霖 尤启冬 《Journal of Chinese Pharmaceutical Sciences》 CAS 2005年第2期89-94,共6页
Aim and Method A novel three-dimensional quantitative structure-activityrelationship (3D-QSAR) method, self-organizing molecular field analysis (SOMFA) , was used toinvestigate the correlation between the molecular pr... Aim and Method A novel three-dimensional quantitative structure-activityrelationship (3D-QSAR) method, self-organizing molecular field analysis (SOMFA) , was used toinvestigate the correlation between the molecular properties and a class of chromanol analogs asI_(Ks) blockers. Results The cross-validated correlation coefficient q^2 values (0.698) and noncross-validated correlation coefficient r^2 values (0.701) proved a good conventional statisticalcorrelation. Conclusion The final SOMFA model has therefore good predictive activity for the furthermolecular design of chromanol I_(Ks) potassium channel blockers. 展开更多
关键词 quantitative structure-activity relationship self-organizing molecular fieldanalysis i_(ks) potassium channel blockers chromanol analogs
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