Simple Selection Criteria for Drug-like Chemical Matter

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

1998 • 2,483 citations

The Properties of Known Drugs. 1. Molecular Frameworks

1996 • 2,042 citations

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

1994 • 1,130 citations

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

1994 • 1,126 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

Virtual screening—an overview

1998 • 937 citations

The Design of Leadlike Combinatorial Libraries

1999 • 765 citations

Property distribution of drug-related chemical databases.

2000 • 594 citations

Computational methods for the prediction of ‘drug-likeness’

2000 • 543 citations

Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?

1998 • 470 citations

A Scoring Scheme for Discriminating between Drugs and Nondrugs

1998 • 386 citations

Designing Libraries with CNS Activity

1999 • 293 citations

Properties of Known Drugs. 2. Side Chains

1999 • 271 citations

Recognizing molecules with drug-like properties

1999 • 261 citations

Strategic Pooling of Compounds for High-Throughput Screening

1999 • 226 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

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

2000 • 129 citations

Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases

1998 • 113 citations

Template-Mediated Synthesis of Polycyclic Aromatic Hydrocarbons: Cyclodehydrogenation and Planarization of a Hexaphenylbenzene Derivative at a Copper Surface

1999 • 99 citations

HTS in the new millennium

2000 • 26 citations

MDL Information Systems, Inc.

1995 • 8 citations

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