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Physical and Theoretical ChemistryComputer Science ApplicationsLibrary and Information SciencesComputer Graphics and Computer-Aided Design
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ClassyFire: automated chemical classification with a comprehensive, computable taxonomy
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COCONUT online: Collection of Open Natural Products database
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AbstractNatural products (NPs) are small molecules produced by living organisms
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Transformer-CNN: Swiss knife for QSAR modeling and interpretation
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AbstractWe present SMILES-embeddings derived from the internal encoder state of
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Due to recent advances in data storage and sharing for further data processing
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AbstractThe reproducibility of experiments has been a long standing impediment
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