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Research Article

Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening

Jürgen Bajorath^†

New Chemical Entities, Inc., 18804 North Creek Parkway, Suite 100, Bothell, Washington 98011, and Department of Biological Structure, University of Washington, Seattle, Washington 98195

J. Chem. Inf. Comput. Sci., 2001, 41 (2), pp 233–245

DOI: 10.1021/ci0001482

Publication Date (Web): January 30, 2001

†

To whom correspondence should be addressed at NCE, Inc. Telephone: (425) 424-7297. Fax: (425) 424-7299. E-mail: jbajorath@nce-mail.com.

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Published In Issue March 26, 2001
Received October 7, 2000

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Research Article

Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening

Tools

SciFinder Links

History

Recommend & Share

Related Content

Chemical Similarity Searching

Homology Model-Based Virtual Screening for GPCR Ligands Using Docking and Target-Biased Scoring

Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches

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