# Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning

> Research article (Journal of Chemical Information and Modeling, 2020) · cited 58× · AI/ML

**Wikidata**: [openalex:W3049374498](https://www.wikidata.org/wiki/openalex:W3049374498)  
**Source**: https://4ort.xyz/entity/predicting-small-molecule-transfer-free-energies-by-combining-molecular-dynamics-simulations-and-deep-learning