Chemical representation learning paper in Digital Discovery
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May 22, 2024 - Jupyter Notebook
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toxicity-prediction
Here are 11 public repositories matching this topic...
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
Official repository for multitask deep learning models.
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Dec 8, 2020 - Python
NLP deep learning model for multilingual toxicity detection in text 📚
nlp flask notebook-jupyter toxic-comment-classification tensorflow2 multilingual-models distilbert toxicity-prediction flask-ajax toxicity-detection toxicity-classification
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Aug 10, 2020 - Jupyter Notebook
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
Toxformer is an attempt at using transformers to predict the toxicity of molecules from their molecular structure using the T3DB database.
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Dec 11, 2024 - Jupyter Notebook
some scripts using deepchem
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Nov 19, 2019 - Python
Dataset used in Tox24 challenge
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Sep 11, 2024
The prediction_script will enable you to predict whether your query protein sequence is cardiotoxic, neurotoxic, and/or enterotoxic.
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Apr 23, 2024 - R
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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