DIVSEL and COMPLIB - Strategies for the Design and Comparison of Combinatorial Libraries using Pharmacophoric Descriptors

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

1988 • 5,936 citations

Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions

1994 • 1,126 citations

Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection

1996 • 625 citations

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

1992 • 613 citations

Molecular Similarity in Drug Design

1995 • 289 citations

Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)

1996 • 153 citations

Computer‐Assisted Lead Finding and Optimization

1997 • 148 citations

Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single “Topomeric” Conformers

1996 • 130 citations

Rapid Quantification of Molecular Diversity for Selective Database Acquisition

1997 • 101 citations

Experimental Designs for Selecting Molecules from Large Chemical Databases

1997 • 88 citations

2,8-Dimethyl-4-(carboxymethyl)-6-(aminomethyl)phenoxathiin S-dioxide: an organic substitute for the .beta.-turn in peptides?

1986 • 88 citations

New perspectives in drug design

1995 • 49 citations

Computer-aided molecular formula determination from mass, proton and carbon-13 NMR spectra

1992 • 40 citations

Productive conformation in the bound state and hydrolytic behavior of thiopeptide analogs of angiotensin-converting enzyme substrates

1986 • 37 citations

Novel Conformationally Extended Naphthalene-Based Inhibitors of Farnesyltransferase

1997 • 26 citations

Manuscript Preparation

1992 • 11 citations