Concepedia

3D-QSAR study of the phenylsulfamic acid derivatives as HPTPβ inhibitors

Wenjuan Zhang, Zhao Wei, C. Thomas Lin, Zhonghua Wang, Zhibing Zheng, Song Li

Journal of Molecular Structure · 2019 · 14 citations · 20 references

DOI

Concepts

References

20

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

, , +10

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

Richard D. Cramer, David E. Patterson, Jeffrey D. Bunce · Journal of the American Chemical Society · 1988 · 3.9K citations

, , +14

Beware of q2!

Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations

Validation of the general purpose tripos 5.2 force field

Matthew Clark, Richard D. Cramer, N. Van Opdenbosch · Journal of Computational Chemistry · 1989 · 2.8K citations

, , +17

The Problem of Overfitting

Douglas M. Hawkins · Journal of Chemical Information and Computer Sciences · 2003 · 2.4K citations

, , +5