Concepedia

The impact of informatics and computational chemistry on synthesis and screening

Charles J. Manly, Shirley Louise‐May, Jack D Hammer

Drug Discovery Today · 2001 · 89 citations · 62 references

DOI

Concepts

References

62

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11.2K citations

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Multivariate Adaptive Regression Splines

Jerome H. Friedman · The Annals of Statistics · 1991 · 8.1K citations · Full text

, , +16

A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases

Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski · Journal of Combinatorial Chemistry · 1998 · 3K citations

, , +14

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Peter Ertl, Bernhard Rohde, Paul M. Selzer · Journal of Medicinal Chemistry · 2000 · 3K citations

, , +15

Prediction of Drug Absorption Using Multivariate Statistics

William J. Egan, Kenneth M. Merz, John J. Baldwin · Journal of Medicinal Chemistry · 2000 · 1.9K citations

, , +14