ZINC15 RECAP core fragmentation output

uwashed.zip --- washed molecules from ZINC15 mapping non-stereochemical SMILES to ZINC IDs. frags.zip --- fragmented molecules ViSAS - Example - Full.knwf --- a KNIME workflow with an exemplary implementation of ViSAS Consider that the folders were split for uploading. Before using any of our script...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Naveja, JJ, Medina-Franco, JL, Saldívar-González, F.
Format:	Dataset
Sprache:	eng
Schlagworte:	analog series cheminformatics ZINC15
Online-Zugang:	Volltext bestellen
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!