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Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow

Gorde:
Argitaratua izan da:Journal of Cheminformatics vol. 16, no. 1 (Dec 2024), p. 101
Egile nagusia: Moreira-Filho, José T.
Beste egile batzuk: Ranganath, Dhruv, Conway, Mike, Schmitt, Charles, Kleinstreuer, Nicole, Mansouri, Kamel
Argitaratua:
Springer Nature B.V.
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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
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