Mapping the properties of bidentate ligands with calculated descriptors (LKB-bid)

We have extended the Ligand Knowledge Base (LKB) approach to consider a broad range of bidentate ligands, varying donors, substituents and backbones, which gives rise to a diverse set of 224 ligands in a new database, LKB-bid. Using a subset of steric and electronic parameters described previously f...

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Veröffentlicht in:	Dalton transactions : an international journal of inorganic chemistry 2020-06, Vol.49 (24), p.8169-8178
Hauptverfasser:	Fey, Natalie, Koumi, Alexander, Malkov, Andrei V, Moseley, Jonathan D, Nguyen, Bao N, Tyler, Simon N. G, Willans, Charlotte E
Format:	Artikel
Sprache:	eng
Schlagworte:	Diagnostic systems Donors (electronic) Knowledge bases (artificial intelligence) Ligands Mapping Mathematical analysis Parameters Principal components analysis Properties (attributes) Spreadsheets
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