EcoMolToolkit

HubZero 2026 Open access

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Authors: Robert Appleton, Alejandro H. Strachan
DOI: 10.21981/q7cm-e151
Cited by: 0

Abstract

Predict fundamental properties and classifications for a variety of sustainability metrics from the molecular SMILES string using a pre-trained machine learning model.

Fields of Study & Subjects

Machine Learning in Materials Science Computational Drug Discovery Methods Chemistry and Chemical Engineering

Publication details

Journal / source
HubZero
Publication date
1 January 2026
Language
EN