A tool for creating Quantitative Structure Property Relationship (QSPR) models.
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Updated
Apr 11, 2024 - Jupyter Notebook
A tool for creating Quantitative Structure Property Relationship (QSPR) models.
QSPR-based machine learning for fuel property prediction
A high-quality hand-curated logD7.4 dataset of 1,130 compounds
Application for detecting functional groups of a molecules.
A package to perform fingerprints from spectroscopy datas.
Fast Molecular Property Prediction with mordredcommunity
A new python package to visualize molecules in dots hover
Workflows for prediction of inhalation toxicokinetics from chemical structure including the individual steps in the training and optimization of QSPR models, model selection and prediction of partition coefficients, applicability domain and toxicokinetics profile.
Band Gap Prediction for low-dimensional antimony(III) and bismuth(III) halides with 1D-anions.
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