4.8 Article

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

Journal

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 131, Issue 25, Pages 8732-+

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ja902302h

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Funding

  1. University of Berne
  2. Swiss National Science Foundation
  3. Chemaxon Ltd.

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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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