tmQMg-L

tmQMg-L is a dataset containing 29k ligands extracted from the Cambridge Structural Database. The ligands come with their atomic positions, metal-coordinating atom indices and corresponding formal charges. Electronic, steric and cheminformatics descriptors have been calculated for each ligand and ar...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Kneiding, Hannes, Balcells, David, Nova, Ainara
Format:	Dataset
Sprache:	eng
Online-Zugang:	Volltext bestellen
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