Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

about

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

Item

http://www.wikidata.org/entity/Q57496181

description

im September 2018 veröffentlichter wissenschaftlicher Artikel

@de

wetenschappelijk artikel

@nl

наукова стаття, опублікована у вересні 2018

@uk

name

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@en

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@nl

type

Item

label

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@en

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@nl

prefLabel

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@en

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@nl

P1476

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

@en

P2093

Benjamin Meyer

http://www.w3.org/2001/XMLSchema#string

Stefan Heinen

http://www.w3.org/2001/XMLSchema#string

P2860

Recent advances in homogeneous nickel catalysis

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Biaryl Phosphane Ligands in Palladium-Catalyzed Amination

Combinatorial and Evolution-Based Methods in the Creation of Enantioselective Catalysts.

Combinatorial Heterogeneous Catalysis-A New Path in an Old Field.

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.

Palladium-catalyzed Suzuki-Miyaura cross-coupling reactions employing dialkylbiaryl phosphine ligands.

Predictive modeling in homogeneous catalysis: a tutorial.

Transition-metal-catalyzed Suzuki-Miyaura cross-coupling reactions: a remarkable advance from palladium to nickel catalysts.

Machine-learning-assisted materials discovery using failed experiments.

P304

7069-7077

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1039/C8SC01949E

http://www.w3.org/2001/XMLSchema#string

P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Boodsarin Sawatlon

O Anatole von Lilienfeld

Clémence Corminboeuf

P577

2018-09-21T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

30310627

http://www.w3.org/2001/XMLSchema#string

P921

machine learning

general chemistry

P932

6137445

http://www.w3.org/2001/XMLSchema#string