General melting point prediction based on a diverse compound data set and artificial neural networks

Journal of Chemical Information and Modeling

Volumn 45, Issue 3, 2005, Pages 581-590

  Karthikeyan, M ^a   Glen, Robert C ^b   Bender, Andreas ^b  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BACKPROPAGATION; CRYSTALLINE MATERIALS; DATA REDUCTION; ELECTRONS; HYDROCARBONS; HYDROGEN BONDS; MELTING; MOLECULAR STRUCTURE; PHASE TRANSITIONS;

DATA SETS; DIPOLE MOMENTS; INTERMOLECULAR INTERACTIONS; RING STRUCTURES;

FEEDFORWARD NEURAL NETWORKS;

EID: 20444362720     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0500132     Document Type: Article

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