/tools/QSPRpred

QSPRpred

CDDLeiden/QSPRpred

85 stars16 forksJupyter NotebookWebsiteAdded February 4, 2026
summary

QSPRpred is an open-source software library designed for creating QSPR/QSAR models, enabling researchers to predict molecular properties and activities. It provides a modular interface for building models using various descriptors and machine learning algorithms, facilitating drug discovery and cheminformatics research.

description

A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

topics

drug-discoveryqsarqsprcheminformaticsmachine-learning

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