A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
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Sep 28, 2020 - Python
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toxicity-prediction
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Official repository for multitask deep learning models.
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Dec 8, 2020 - Python
An improved method for predicting toxicity of the peptides and designing of non-toxic peptides
bioinformatics machine-learning-algorithms ensemble-machine-learning motif-prediction toxicity-prediction peptide-therapeutics
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Jul 23, 2024 - Python
some scripts using deepchem
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Nov 19, 2019 - Python
pDILI_v1 is a python package that allows users to predict the association of drug-induced liver injury of a small molecule (1 = RISKy, 0 = Non-RISKy) and also visualize the molecule.
machine-learning cheminformatics drug-design chemicals applicability-domain toxicity-prediction hepatotoxicity
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Jan 3, 2025 - Python
This is a Pytorch implementation of the paper: Application of Self-Supervised Graph Transformers for Developing Classification Models for Tox21 Bioactivity and Regression Models to Predict Inhalation Toxicity Lethal Concentrations
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Dec 13, 2024 - Python
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