User: Kalai

Name: Kalai

Joined: Monday 19 July 2010 08:32:38 (UTC)

Last seen: Monday 23 April 2012 13:05:26 (UTC)

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Website: http://www.ebi.ac.uk/steinbeck/

Location: Cambridge, United Kingdom

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Workflows to analyse small molecule chemical space.

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European Bioinformatics Institute

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Natural product likeness filter

Created: 2011-05-13 19:35:39 | Last updated: 2011-08-29 14:25:47

Reference: Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries Peter Ertl,* Silvio Roggo, and Ansgar Schuffenhauer Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland http://peter-ertl.com/reprints/Ertl-JCIM-48-68-2008.pdf The natural product likeness scorer implemented by Peter Ertl was originally devised to screen large compound libraries for natural product likeness in drug designing studies. His work...

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