Journal of Cheminformatics

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This article is part of the supplement: 5th German Conference on Cheminformatics: 23. CIC-Workshop

Open Access Oral presentation

KnowledgeSpace - a publicly available virtual chemistry space

Carsten Detering*, H Claussen, M Gastreich and C Lemmen

  • * Corresponding author: Carsten Detering

Author Affiliations

BioSolveIT GmbH, An der Ziegelei 79, 53757 Sankt Augustin, Germany

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Journal of Cheminformatics 2010, 2(Suppl 1):O9 doi:10.1186/1758-2946-2-S1-O9

Published: 4 May 2010

First paragraph (this article has no abstract)

Virtual high throughput screening of in-house compound collections and vendor catalogs is a validated approach in the quest for novel molecular entities. However, these libraries are small compared to the overall synthesizable number of compounds from validated "wet" chemical reactions in pharma companies or the public domain.