Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow

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Pubblicato in:	Journal of Cheminformatics vol. 16, no. 1 (Dec 2024), p. 101
Autore principale:	Moreira-Filho, José T.
Altri autori:	Ranganath, Dhruv, Conway, Mike, Schmitt, Charles, Kleinstreuer, Nicole, Mansouri, Kamel
Pubblicazione:	Springer Nature B.V.
Soggetti:	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
Accesso online:	Citation/Abstract Full Text - PDF
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