Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets-Reference-Cited by-同舟云学术

Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets

Published:2023-07-13 Issue:8 Volume:36 Page:1300-1312
ISSN:0893-228X
Container-title:Chemical Research in Toxicology
language:en
Short-container-title:Chem. Res. Toxicol.

Author:

Smajić Aljoša¹^ORCID,Rami Iris¹,Sosnin Sergey¹^ORCID,Ecker Gerhard F.¹^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria

Funder

Austrian Science Fund

Innovative Medicines Initiative

Horizon 2020 Framework Programme

Publisher

American Chemical Society (ACS)

Subject

Toxicology,General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.chemrestox.3c00042

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4. In silicotoxicology: computational methods for the prediction of chemical toxicity

5. Uncertainty in QSAR Predictions

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