Automatized assessment of protective group reactivity: A step toward big reaction data analysis

Journal of Chemical Information and Modeling

Volumn 56, Issue 11, 2016, Pages 2140-2148

  Lin, Arkadii I ^a,b   Madzhidov, Timur I ^a   Klimchuk, Olga ^b   Nugmanov, Ramil I ^a   Antipin, Igor S ^a   Varnek, Alexandre ^a,b  

^a KAZAN FEDERAL UNIVERSITY   (Russian Federation)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGENATION;

CATALYTIC HYDROGENATION; CONDENSED GRAPHS; MOLECULAR DESCRIPTORS; MOLECULAR GRAPHS; OPTIMAL EXPERIMENTAL CONDITIONS; PROTECTIVE GROUP; REACTION CONDITIONS; SIMILARITY PRINCIPLE;

MOLECULAR GRAPHICS;

HYDROXIDE; HYDROXIDE ION; PHENOL DERIVATIVE; SOLVENT;

AUTOMATION; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; FACTUAL DATABASE; INFORMATION SCIENCE; PROCEDURES;

AUTOMATION; CATALYSIS; DATABASES, FACTUAL; HYDROXIDES; INFORMATICS; MODELS, CHEMICAL; PHENOLS; SOLVENTS;

EID: 84999264457     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.6b00319     Document Type: Article

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