The model uses Word2Vec, a natural language processing technique to represent SMILES strings. The model was trained on over <4000 small molecules with associated experimental HBV inhibition data (IC50) to classify compounds as HBV inhibitors (IC50 <= 1 uM) or non-inhibitors. Data was gathered from the public repository ChEMBL.
eos8lok
s2dv-hbv
Compound
Single
Classification
Experimental value
Float
Single
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This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a Apache-2.0 license.
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