README.md

Machine Learning for Ionic Liquid Toxicity Prediction

This repository contains the data and scripts involved in the publication:

Machine Learning for Ionic Liquid Toxicity Prediction

Requirements

Library

• RDKit: cheminformatics
• PyTorch & scikit-learn: development of ML models

Authors

• Zihao Wang
• Prof. Dr. Zhen Song
• Prof. Dr.-Ing. Teng Zhou