Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow

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Detalles Bibliográficos
Publicado en:	Journal of Cheminformatics vol. 16, no. 1 (Dec 2024), p. 101
Autor principal:	Moreira-Filho, José T.
Otros Autores:	Ranganath, Dhruv, Conway, Mike, Schmitt, Charles, Kleinstreuer, Nicole, Mansouri, Kamel
Publicado:	Springer Nature B.V.
Materias:	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
Acceso en línea:	Citation/Abstract Full Text - PDF
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