/tools/automated-qsar-framework
automated-qsar-framework
LabMolUFG/automated-qsar-framework
23 stars9 forksAdded February 4, 2026
summary
The Automated QSAR Framework is designed for the curation of chemogenomics data and the development of predictive QSAR models using machine learning. It facilitates data preparation, chemical space analysis, and virtual screening, making it a valuable tool for drug discovery.
description
Automated framework for the curation of chemogenomics data and to develop QSAR models for virtual screening using the open-source KNIME software
topics
cheminformaticsqsardrug-discoveryvirtual-screeningmachine-learningknime
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