The development of descriptors for solids: Teaching "catalytic intuition" to a computer

Angewandte Chemie - International Edition

Volumn 43, Issue 40, 2004, Pages 5347-5349

  Klanner, Catharina ^a   Farrusseng, David ^b   Baumes, Laurent ^b   Lengliz, Mourad ^c   Mirodatos, Claude ^b   Schüth, Ferdi ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b CNRS   (France)

^c NONE

Author keywords

Combinatorial chemistry; Heterogeneous catalysis; High throughput screening; Oxidation; Virtual screening

Indexed keywords

CATALYSIS; OXIDATION; PROPYLENE; SCREENING; SOLIDS; STATISTICAL METHODS;

STATISTICAL EXPECTATION VALUES; VIRTUAL SCREENING;

CATALYSTS;

COORDINATION COMPOUND; ZEOLITE;

ALGORITHM; ARTICLE; ARTIFICIAL NEURAL NETWORK; CATALYSIS; CATALYST; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; COMBINATORIAL CHEMISTRY; COMPUTER; COMPUTER PROGRAM; DATA ANALYSIS; DRUG CLASSIFICATION; ENTHALPY; EVOLUTION; EXPERIMENTATION; HIGH THROUGHPUT SCREENING; IONIZATION; METHODOLOGY; OXIDATION; PHYSICAL CHEMISTRY; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VIRTUAL REALITY; VIRTUAL SCREENING;

EID: 7244231197     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200460731     Document Type: Article

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