Literature DB >> 19505099

970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.

Lorenz C Blum1, Jean-Louis Reymond.   

Abstract

GDB-13 enumerates small organic molecules containing up to 13 atoms of C, N, O, S, and Cl following simple chemical stability and synthetic feasibility rules. With 977,468,314 structures, GDB-13 is the largest publicly available small organic molecule database to date.

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Year:  2009        PMID： 19505099     DOI： 10.1021/ja902302h

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  95 in total

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Review 5.  Exploring chemical space for drug discovery using the chemical universe database.

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7.  Molpher: a software framework for systematic chemical space exploration.

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8.  e-LEA3D: a computational-aided drug design web server.

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9.  Tautomerism in large databases.

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10.  Making Mass Spectrometry See the Light: The Promises and Challenges of Cryogenic Infrared Ion Spectroscopy as a Bioanalytical Technique.

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