pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Author:

Pires Douglas E. V.12,Blundell Tom L.1,Ascher David B.1

Affiliation:

1. Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Sanger Building, Cambridge, Cambridgshire CB2 1GA, U.K.

2. Centro de Pesquisas René Rachou, Fundação Oswaldo Cruz, Belo Horizonte 30190-002, Brazil

Funder

Wellcome Trust

Medical Research Council

University of Cambridge

National Health and Medical Research Council

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Fundação Oswaldo Cruz

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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