Papers: Ligand Efficiency Indices for Mapping Chemico-biological Space

A few months ago, Cele Abad-Zapatero visited our lab here at the EMBL-EBI, he touched all our lives in many ways and was a pleasure to have around. The sort of lab visitor anyone would welcome! Anyway, while here, we worked together on Cele's long-standing idea of an 'atlas' representation of target-chemical space, and a variety of descriptors will be incorporated into the ChEMBL database over the next few releases, both for visualisation, and also to enable data mining.

%J Drug Discovery Today
%T Efficiency Indices for an Effective Mapping of Chemico-biological Space: The Concept of an Atlas-like Representation
%D 2010
%V 15
%P 804-811
%A Abad-Zapatero C.
%A Perišić O.
%A Wass J.
%A Bento A.P.
%A Overington J.
%A Al-Lazikani B.
%A Johnson M.E.

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A python client for accessing ChEMBL web services

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