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) ...
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 ...
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.
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