Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow

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Publicat a:	Journal of Cheminformatics vol. 16, no. 1 (Dec 2024), p. 101
Autor principal:	Moreira-Filho, José T.
Altres autors:	Ranganath, Dhruv, Conway, Mike, Schmitt, Charles, Kleinstreuer, Nicole, Mansouri, Kamel
Publicat:	Springer Nature B.V.
Matèries:	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
Accés en línia:	Citation/Abstract Full Text - PDF
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