Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods

Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors

(2010) Vijay M. Khedkar et al.   JOURNAL OF MOLECULAR MODELING

3D QSAR studies on 3,4-dihydroquinazolines as T-type calcium channel blocker by comparative molecular similarity indices analysis (CoMSIA)

(2009) Jin Ah Jeong et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

β-Triketone Inhibitors of Plantp-Hydroxyphenylpyruvate Dioxygenase: Modeling and Comparative Molecular Field Analysis of Their Interactions

(2009) Franck E. Dayan et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Fragment-based QSAR: perspectives in drug design

(2009) Lívia B. Salum et al.   MOLECULAR DIVERSITY

3D-QSAR Studies on Chromone Derivatives as HIV-1 Protease Inhibitors: Application of Molecular Field Analysis

(2008) Patcharawee Nunthanavanit et al.   ARCHIV DER PHARMAZIE

Computational chemistry approaches to drug discovery in signal transduction

(2008) Peter M. Fischer   Biotechnology Journal

Use of 3D QSAR Models for Database Screening:  A Feasibility Study

(2008) Alexander Hillebrecht et al.   Journal of Chemical Information and Modeling

Virtual Screening for R-Groups, including Predicted pIC50 Contributions, within Large Structural Databases, Using Topomer CoMFA

(2008) Richard D. Cramer et al.   Journal of Chemical Information and Modeling

Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem

(2008) Xiang-Qun Xie et al.   Journal of Chemical Information and Modeling

Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design

(2008) Qi-Shi Du et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents

(2008) Carolina H. Andrade et al.   MOLECULAR DIVERSITY

hERG Classification Model Based on a Combination of Support Vector Machine Method and GRIND Descriptors

(2008) Qiyuan Li et al.   MOLECULAR PHARMACEUTICS