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Naive Bayes Skin Sensitization Model v. 1.1
Version 2 2018-01-04, 21:53
Version 1 2018-01-04, 21:47
software
posted on 2018-01-04, 21:53 authored by Vinicius M. Alves, Stephen J. Capuzzi, Rodolpho C. Braga, Joyce V. B. Borba, Arthur C. Silva, Thomas Luechtefeld, Thomas Hartung, Carolina Horta Andrade, Eugene N. Muratov, Alexander TropshaKNIME workflow for prediction of human skin sensitization using a Naive Bayes model developed with human, animal, and non-animal data sources.
If you use this workflow in your research, please cite our paper:
Vinicius M. Alves, Stephen J. Capuzzi, Rodolpho C. Braga, Joyce V. B. Borba, Arthur C. Silva, Thomas Luechtefeld, Thomas Hartung, Carolina Horta Andrade, Eugene N. Muratov, and Alexander Tropsha. ACS Sustainable Chemistry & Engineering 2018 6 (3), 2845-2859. DOI: 10.1021/acssuschemeng.7b04220
Funding
Brazilian National Council for Scientific and Technological Development (CNPq)
NATIONAL INSTITUTES OF HEALTH (NIH)
United States Department of Health and Human Services
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