Potential Drugs and Nondrugs: Prediction and Identification of Important Structural Features

C4.5: Programs for Machine Learning

1992 • 24,077 citations

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

1997 • 9,861 citations

Synthesis and Applications of Small Molecule Libraries

1996 • 1,451 citations

Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries

1994 • 1,130 citations

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

1989 • 1,122 citations

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

1996 • 625 citations

A Scoring Scheme for Discriminating between Drugs and Nondrugs

1998 • 386 citations

Review of ring perception algorithms for chemical graphs

1989 • 184 citations

Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms

1998 • 175 citations

Chemical Fragment Generation and Clustering Software

1997 • 118 citations

Analysis of a Large Structure‐Activity Data Set Using Recursive Partitioning

1997 • 101 citations

Enhancing the diversity of a corporate database using chemical database clustering and analysis

1995 • 97 citations