SVR-CKNN Applied in QSAR Model of HIV-1 Protease Inhibitors
得到的QSAR模型进一步验*了复合物中磺酰脲化合物与酶的连接模式,并为下一步的虚拟筛选提供了一个非常有用的工具。
On the correlation of molecule descriptors used in QSAR study
Electrotopological State Indices for Atom Type and Its Application to QSAR Study
QSAR/QSPR Study on Some Pesticides and Fluorobenzene Derivatives
其后,对所有化合物采用另一异构形式重复上述过程,以探讨互变异构对QSAR建模的影响。
A New Topological Index X for the QSAR Studies of Olefins
3D-QSAR Study of Novel 5-Substituted Benzenesulfonylurea Compounds
Application of Topological Indices to the QSAR Study in the Fields of Enviroment and Pharmaceutics;
QSPR/QSAR Study on Mercaptans by Quantum Topological Method
QSAR Study of Thiophenyl-carboxylates Derivatives;