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martin-sicho committed Aug 29, 2024
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<img src='figures/QSPRpred_logo.jpg' width=10% align=right>
<p align=left width=70%>

QSPRpred is open-source software libary for building **Quantitative Structure Property
Relationship (QSPR)** model developed by Gerard van Westen's Computational Drug
QSPRpred is open-source software libary for building **Quantitative Structure Property/Activity
Relationship (QSPR/QSAR)** models developed by Gerard van Westen's Computational Drug
Discovery group. It provides a unified interface for building QSPR models based on
different types of descriptors and machine learning algorithms. We developed this
package to support our research, recognizing the necessity to reduce repetition in our
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