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QMugs, quantum mechanical properties of drug-like molecules

Authors :
Clemens Isert
Kenneth Atz
José Jiménez-Luna
Gisbert Schneider
Source :
Scientific Data, Vol 9, Iss 1, Pp 1-11 (2022)
Publication Year :
2022
Publisher :
Nature Portfolio, 2022.

Abstract

Measurement(s) Quantum Mechanics Technology Type(s) density functional theory

Subjects

Subjects :
Science

Details

Language :
English
ISSN :
20524463
Volume :
9
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Scientific Data
Publication Type :
Academic Journal
Accession number :
edsdoj.f11ec1f096da4b41a395abc8e959229f
Document Type :
article
Full Text :
https://doi.org/10.1038/s41597-022-01390-7