Concepedia

Computational methods for the prediction of ‘drug-likeness’

David E. Clark, Stephen D. Pickett

Drug Discovery Today · 2000 · 573 citations · 51 references

DOI

Concepts

References

51

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

, , +16

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

, , +5

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

Virtual screening—an overview

W. Patrick Walters, Matthew T. Stahl, Mark A. Murcko · Drug Discovery Today · 1998 · 992 citations

MDCK (Madin-Darby Canine Kidney) Cells: A Tool for Membrane Permeability Screening

Jennifer D. Irvine, Lori H. Takahashi, Karen Lockhart et al. · Journal of Pharmaceutical Sciences · 1999 · 976 citations

, , +13