Concepedia

Molecular fields in quantitative structure–permeation relationships: the VolSurf approach

Gabriele Cruciani, Patrizia Crivori, Pierre‐Alain Carrupt, Bernard Testa

Journal of Molecular Structure THEOCHEM · 2000 · 561 citations · 21 references

DOI

Concepts

References

21

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

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

P. J. Goodford · Journal of Medicinal Chemistry · 1985 · 2.6K citations

, , +17

The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

Svante Wold, Axel Ruhe, Herman Wold et al. · SIAM Journal on Scientific and Statistical Computing · 1984 · 2.5K citations

, , +12

Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

G. Klebe, Ute Abraham, Thomas Mietzner · Journal of Medicinal Chemistry · 1994 · 1.8K citations

, , +13

Atomic charges derived from electrostatic potentials: A detailed study

Lisa Emily Chirlian, Michelle Francl · Journal of Computational Chemistry · 1987 · 1.1K citations

, , +12