How accurately can we predict the melting points of drug-like compounds?

Journal of Chemical Information and Modeling

Volumn 54, Issue 12, 2014, Pages 3320-3329

  Tetko, Igor V ^a,b,c,d   Sushko, Yurii ^c   Novotarskyi, Sergii ^c   Patiny, Luc ^e   Kondratov, Ivan ^f,g   Petrenko, Alexander E ^f   Charochkina, Larisa ^g   Asiri, Abdullah M ^b  

^a INSTITUTE OF EPIDEMIOLOGY   (Germany)

^b KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

^c EADMET GmbH   (Germany)

^d KAZAN FEDERAL UNIVERSITY   (Russian Federation)

^e EPFL   (Switzerland)

^f ENAMINE LTD   (Ukraine)

^g INSTITUTE OF BIOORGANIC CHEMISTRY AND PETROCHEMISTRY   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

MELTING POINT; MOLECULES;

CONSENSUS MODELS; DRUG LEADS; EXPERIMENTAL ERRORS; HIGHLY ACCURATE; INDIVIDUAL MODELS; MEDICINAL CHEMISTRY; REACTIVE GROUP; TEMPERATURE INTERVALS;

DIGITAL STORAGE;

DRUG;

ARTIFICIAL INTELLIGENCE; CHEMISTRY; INFORMATION SCIENCE; MEDICINAL CHEMISTRY; PROCEDURES; STATISTICAL MODEL; STATISTICS; TRANSITION TEMPERATURE;

ARTIFICIAL INTELLIGENCE; CHEMISTRY, PHARMACEUTICAL; INFORMATICS; MODELS, STATISTICAL; PHARMACEUTICAL PREPARATIONS; STATISTICS AS TOPIC; TRANSITION TEMPERATURE;

EID: 84919628756     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci5005288     Document Type: Article

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