Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow

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Detalhes bibliográficos
Publicado no:	Journal of Cheminformatics vol. 16, no. 1 (Dec 2024), p. 101
Autor principal:	Moreira-Filho, José T.
Outros Autores:	Ranganath, Dhruv, Conway, Mike, Schmitt, Charles, Kleinstreuer, Nicole, Mansouri, Kamel
Publicado em:	Springer Nature B.V.
Assuntos:	Source code Physicochemical properties Applications programs Skills Workflow Unsupervised learning Biological activity Feature selection Biological properties Machine learning User interfaces Automation Irritation Natural language (computers) Learning algorithms Natural language Data analysis Informatics Chemical activity Corrosion mechanisms Summaries Algorithms Corrosion tests Software Visualization Economic
Acesso em linha:	Citation/Abstract Full Text - PDF
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