Enhancing hERG Risk Assessment with Interpretable Classificatory and Regression Models

Author:

Sanches Igor H.123ORCID,Braga Rodolpho C.4ORCID,Alves Vinicius M.5ORCID,Andrade Carolina Horta123ORCID

Affiliation:

1. Laboratory for Molecular Modeling and Drug Design (LabMol), Faculty of Pharmacy, Universidade Federal de Goiás, Goiânia, GO 74690-900, Brazil

2. Center for Excellence in Artificial Intelligence (CEIA), Institute of Informatics, Universidade Federal de Goiás, Goiânia, GO 74690-900, Brazil

3. Center for the Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, SP 05508-220, Brazil

4. InsilicAll Inc., São Paulo, SP 04571-010, Brazil

5. University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States

Funder

Funda??o de Amparo ? Pesquisa do Estado de Goi?s

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

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