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The canonical SMILES strings obtained from the PubChem database were uploaded to the SwissTargetPrediction server (http://www.swisstargetprediction.ch/) for molecular composition target prediction. The platform species is set to “Homo sapiens”, and the predicted results of the platform were collected and classified. All predicted results are stored as CSV format. Furthermore, all of the results were de-reprocessed, transferred to Excel format, and a molecular library was established.
Copyright and License information: ©2021 Huang et al.
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