Concepedia

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

Alexander Golbraikh, Alexander Tropsha

Journal of Computer-Aided Molecular Design · 2002 · 493 citations · 63 references

DOI

Concepts

References

63

Structural Determination of Paraffin Boiling Points

Harry Wiener · Journal of the American Chemical Society · 1947 · 4.1K citations

, , +7

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

Characterization of molecular branching

Milan Randić · Journal of the American Chemical Society · 1975 · 3.6K citations

, , +5

Computer Aided Design of Experiments

R. W. Kennard, L. A. Stone · Technometrics · 1969 · 3.4K citations

, , +11