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SpringerOpen, Journal of Cheminformatics, S1(6), 2014

DOI: 10.1186/1758-2946-6-s1-o26

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KRIPO – a structure-based pharmacophores approach explains polypharmacological effects

Journal article published in 2014 by Stefan Verhoeven, Marton Vass, Chris de Graaf, Tina Ritschel, Albert Kooistra, Tom Jj J. Schirris ORCID, Ross McGuire, Frans Gm Russel
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

KNIME nodes for KripoDB (https://github.com/3D-e-Chem/kripodb). KripoDB is a Python package used to interact with Kripo fragment, fingerprint and similarity data files. KRIPO stands for Key Representation of Interaction in POckets, see http://dx.doi.org/10.1186/1758-2946-6-S1-O26 for more information. Added kripodb Python installation instruction in node description (#16) code coverage (#19) Changed Allow fragments db to be a webservice url (#15) Tests run against mocked web service (#18)