Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties

1 code implementation • 17 Sep 2023 • Shokirbek Shermukhamedov, Dilorom Mamurjonova, Michael Probst

The application of machine learning (ML) techniques in computational chemistry has led to significant advances in predicting molecular properties, accelerating drug discovery, and material design.

Decoder Drug Discovery