Concepedia

HQSAR and topomer CoMFA for predicting melanocortin-4 receptor binding affinities of trans-4-(4-chlorophenyl) pyrrolidine-3-carboxamides

Shuling Yu, Jintao Yuan, Jiahua Shi, Xiao‐Jiao Ruan, Ting Zhang, Yanli Wang, Yu Du

Chemometrics and Intelligent Laboratory Systems · 2015 · 35 citations · 18 references

DOI

Concepts

References

18

Surflex:  Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine

Ajay N. Jain · Journal of Medicinal Chemistry · 2003 · 1.4K citations

, , +17

Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search

Ajay N. Jain · Journal of Computer-Aided Molecular Design · 2007 · 586 citations

, , +16

Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

Nicola Chirico, Paola Gramatica · Journal of Chemical Information and Modeling · 2012 · 528 citations · Full text

, , +14

On the Properties of Bit String-Based Measures of Chemical Similarity

Darren R. Flower · Journal of Chemical Information and Computer Sciences · 1998 · 343 citations

, , +9

3D-QSAR illusions

Arthur M. Doweyko · Journal of Computer-Aided Molecular Design · 2004 · 134 citations