Consideration of predicted small-molecule metabolites in computational toxicology-Reference-Cited by-同舟云学术

Consideration of predicted small-molecule metabolites in computational toxicology

Author:

Garcia de Lomana Marina¹²^ORCID,Svensson Fredrik³^ORCID,Volkamer Andrea⁴^ORCID,Mathea Miriam¹^ORCID,Kirchmair Johannes²^ORCID

Affiliation:

1. BASF SE, 67063 Ludwigshafen am Rhein, Germany

2. Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, 1090 Vienna, Austria

3. Alzheimer's Research UK UCL Drug Discovery Institute, University College London, London WC1E 6BT, UK

4. In Silico Toxicology and Structural Bioinformatics, Institute of Physiology, Charité Universitätsmedizin Berlin, 10117 Berlin, Germany

Abstract

Exploration of computational approaches for including metabolism information in machine learning models for toxicity prediction.

Funder

Bundesministerium für Bildung und Forschung

Publisher

Royal Society of Chemistry (RSC)

Link

Reference39 articles.

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