ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

Wednesday, 2 March 2011

Papers: Probing the links between in vitro potency, ADMET and physicochemical parameters


We are collaborators on a paper just published in Nature Reviews Drug Discovery, investigating the relationship of in vitro and physicochemical data and ADMET properties, as you will imagine, a lot of the underlying data for this work and analysis came from the ChEMBL database. There is quite a lot of new stuff in there...

%J Nature Reviews Drug Discovery
%V 10
%P 197-208
%D 2011
%O doi:10.1038/nrd3367
%T Probing the links between in vitro potency, ADMET and physicochemical parameters
%A M.P. Gleeson
%A A. Hersey
%A D. Montanari
%A J. Overington

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