computational-toxicology

Here are 4 public repositories matching this topic...

DaniChinwendu / EWC2-ANN-MODEL

A repo for the EWC artifical Neural network model for predicting EC3 Values For Skin Sensitization

machine-learning cheminformatics numpy pandas python3 artificial-neural-networks toxicity-classification streamlit-webapp computational-toxicology

Updated Apr 9, 2023
Jupyter Notebook

mrmsds / ttr-binding-analysis

Star

Jupyter notebook and tabular data files to support the publication "Combined In vitro and In silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity" (Charest et al. 2025)

chemistry toxicology cheminformatics open-data computational-chemistry epa fair-data computational-toxicology qsar-modeling

Updated Apr 29, 2025
Jupyter Notebook

biobricks-ai / cpdat

Star

49k chemicals categorized by usage or function in 16k consumer products (e.g. shampoo, soap)

brick epa computational-toxicology comptox

Updated Mar 18, 2025
Python

biobricks-ai / toxcast

Star

EPA data on 1,800 chemicals across 700+ assay endpoints

brick epa high-throughput-screening tox21 computational-toxicology

Updated Jun 11, 2025
R

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computational-toxicology

Here are 4 public repositories matching this topic...

DaniChinwendu / EWC2-ANN-MODEL

mrmsds / ttr-binding-analysis

biobricks-ai / cpdat

biobricks-ai / toxcast

Improve this page

Add this topic to your repo