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Toxicity prediction agents

Chemical representation learning paper in Digital Discovery

A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.

An improved method for predicting toxicity of the peptides and designing of non-toxic peptides

Modeling and prediction of drug toxicity from chemical structure

A collection of transformer-based models and developmental scripts presented in the publication "Transformers enable accurate prediction of acute and chronic chemical toxicity in aquatic organisms".

Official repository for multitask deep learning models.

No description available from source.

A convolutional neural network predicts the toxicity of a drug based on its molecular structure.

A hybrid deep learning framework for toxicity prediction