GitHub2y
Solubility Range Multi-class Classification with NLP based Mol Featurization
Aqueous Solubility Range Multi-class classification models in TensorFlow 2.0, using standard Mol2Vec featurizer and a property-aware NLP (skip-gram) adapted/customised featurizer for SMILES molecules.
IEEE5mon
Moisture solubility and diffusion in epoxy and epoxy-glass composites
Abstract: The solubility and kinetics of moisture transport mechanisms in epoxy-type resin and resin-glass composites have been investigated over a range of partial pressure and temperature. Moisture ...
GitHub2y
Solubility Range Multi-class Classification with NLP based Mol Featurization
The goal of the work is to compare the performance of the following two molecular featurization methods for solubility range classification Standard Mol2vec (radius = 1) Property-aware NLP (skip-gram) ...