Developing Quantum-Physics Inspired Machine Learning Model for the Partition Coefficient Prediction and Comparing its Performance with the Empirical Descriptors and Molecular Graph-based Models
Abstract
Supplementary Information for logP Prediction. It has dataset, figures, tables, and gnn code.
Fields of Study & Subjects
Computational Drug Discovery Methods
Machine Learning in Materials Science
Advanced Chemical Physics Studies
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 8 March 2026
- Language
- EN