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A Comprehensive Discovery Platform for Organophosphorus Lig..:

Tobias Gensch (1555039) ; Gabriel dos Passos Gomes (1470415) ; Pascal Friederich (1753135)...
https://figshare.com/articles/journal_contribution/A_Comprehensive_Discovery_Platform_for_Organophosphorus_Ligands_for_Catalysis/18307112. , 2022

Link: https://doi.org/10.1021/jacs.1c09718.s001

RT Journal
T1 <Title>A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_18307112&Exemplar=1&LAN=DE
				
A1 Tobias Gensch (1555039)
A1 Gabriel dos Passos Gomes (1470415)
A1 Pascal Friederich (1753135)
A1 Ellyn Peters (11939186)
A1 Théophile Gaudin (1576279)
A1 Robert Pollice (1351824)
A1 Kjell Jorner (1460062)
A1 AkshatKumar Nigam (11939189)
A1 Michael Lindner-D'Addario (11939192)
A1 Matthew S. Sigman (1306671)
A1 Alán Aspuru-Guzik (1273038)
YR 2022
K1 Biophysics
K1 Biochemistry
K1 Molecular Biology
K1 Pharmacology
K1 Biotechnology
K1 Biological Sciences not elsewhere classified
K1 Mathematical Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 representative conformer ensembles
K1 local structural searches
K1 driven workflows embedded
K1 comprehensive discovery platform
K1 build predictive models
K1 accelerate ligand selection
K1 novel catalyst designs
K1 efficient property prediction
K1 300000 new ligands
K1 existing data sets
K1 property space
K1 catalyst performance
K1 organophosphorus ligands
K1 1558 ligands
K1 vast number
K1 using quantum
K1 systematically explore
K1 reaction optimization
K1 predict properties
K1 potential catalysts
K1 mechanical methods
K1 largely relying
K1 kraken </
K1 human intuition
K1 candidate space
K1 calculated descriptors
JF https://figshare.com/articles/journal_contribution/A_Comprehensive_Discovery_Platform_for_Organophosphorus_Ligands_for_Catalysis/18307112
LK http://dx.doi.org/https://doi.org/10.1021/jacs.1c09718.s001
DO https://doi.org/10.1021/jacs.1c09718.s001
SF ELIB - SuUB Bremen

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