探索提高三维定量构效关系模型预测能力的方法.
谭建军， 门婧睿， 孙洪亮， 贺丽群… - Journal of Beijing …, 2018 - search.ebscohost.com
To solve the problem that the three 鄄dimensional quantitative structure 鄄activity
relationship (3D 鄄QSAR) model is not ideal when using the model to predict the biological …
relationship (3D 鄄QSAR) model is not ideal when using the model to predict the biological …
發展三維定量構效關係組合模型架構用於搜尋與優化標靶蛋白質抑制劑基於Pharmacophore, CoMFA 和CoMSIA 電腦技術
石貴中 - 2011 - airitilibrary.com
Quantitative Structure Activity Relationships (QSAR) is an important technique in the rational
drug design, which was used to build computational models to find a statistically significant …
drug design, which was used to build computational models to find a statistically significant …
Descriptor selection based on variable stability for predicting inhibitor activity
J Chen, Y Gao, X Hu, D Qin, X Lu - Journal of Theoretical and …, 2017 - World Scientific
Quantitative structure-activity relationship (QSAR) has been a technique to study the
relationship between chemical structures and properties, and variable selection is an …
relationship between chemical structures and properties, and variable selection is an …
[PDF][PDF] 多肽定量构效关系建模方法
张娅， 丁元， 王远强， 王伯初 - 重庆理工大学学报(自然科学), 2011 - clgzk.qks.cqut.edu.cn
列举了苦味肽, 血管紧张素转换酶抑制剂和抗菌肽3 种常用于QSAR 建模的多肽体系,
介绍了几种QSAR 常用建模方法: 多元线性回归(mLR), 偏最小二乘法(PLS), 支持向量机(SVm) …
介绍了几种QSAR 常用建模方法: 多元线性回归(mLR), 偏最小二乘法(PLS), 支持向量机(SVm) …
Comparison of various methods for validity evaluation of QSAR models
S Shayanfar, A Shayanfar - BMC chemistry, 2022 - Springer
Background Quantitative structure–activity relationship (QSAR) modeling is one of the most
important computational tools employed in drug discovery and development. The external …
important computational tools employed in drug discovery and development. The external …