AIM: To construct 3d QSAR models of drugs passing through the blood brain barrier (BBB), that provide a theoretical basis for molecular drug design.
目的：建立药物透过血脑屏障的三维构效模型，为药物分子设计提供理论依据。
Using comparative molecular field analysis (CoMFA), a 3D-QSAR model of anticarcinogenicity (inhibiting the induction of ODC) for a series of retinoids was established.
使用比较分子场分析法建立了维甲类化合物抗致癌活性的三维构效关系模型。
New benzimidazole molecules with excellent corrosion inhibition properties were designed by 3d-qsar contour maps.
通过3d - QSAR等势图设计出了几种具有较好缓蚀性能的苯并咪唑化合物。
应用推荐