LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity–Application to the Tox21 and Mutagenicity Data Sets

Author:

Zhang Jin1,Mucs Daniel2,Norinder Ulf23ORCID,Svensson Fredrik45ORCID

Affiliation:

1. Department of Chemistry, Umeå University, SE-901 87 Umeå, Sweden

2. Swetox, Unit of Toxicology Sciences, Karolinska Institutet, Forskargatan 20, SE-151 36 Södertälje, Sweden

3. Department of Computer and Systems Sciences, Stockholm University, Box 7003, SE-164 07 Kista, Sweden

4. The Alzheimer’s Research UK University College London Drug Discovery Institute, The Cruciform Building, Gower Street, London WC1E 6BT, U.K.

5. The Francis Crick Institute, 1 Midland Road, London NW1 1AT, U.K.

Funder

Medical Research Council

Alzheimer's Research Trust

Wellcome Trust

Cancer Research UK

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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