SVR-CKNN Applied in QSAR Model of HIV-1 Protease Inhibitors
得到的QSAR模型進一步驗*了複合物中磺酰脲化合物與酶的連接模式,併為下一步的虛擬篩選提供了一個非常有用的工具。
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
其後,對所有化合物採用另一異構形式重複上述過程,以探討互變異構對QSAR建模的影響。
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;