Smart consensus QSAR
Project description
QSARcons – a tool for searching optimal consensus of QSAR models
QSARcons is a package for finding the optimal consensus of QSAR models. This project is motivated by the fact that there are many different chemical descriptors and machine learning methods which can be combined into multiple QSAR models. So, a smart selection of the optimal subset of QSAR models (consensus) can be reasonable for many applications.
Overview
QSARcons can be used for:
Random consensus search
Systematic consensus search
Genetic consensus search
Installation
QSARcons can be installed using conda/mamba package managers.
pip install qsarconsTutorial
See an example in tutorial .
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