Evaluation of hierarchical structured representations for QSPR studies of small molecules and polymers by recursive neural networks

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 7, 2009, Pages 797-802

  Bertinetto, Carlo ^a   Duce, Celia ^a   Micheli, Alessio ^a   Solaro, Roberto ^a   Starita, Antonina ^a   Tiné, Maria Rosaria ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Cheminformatics; Cyclic structure; Ionic liquids; Molecular representation; Poly(meth)acrylates; QSPR; Recursive neural network

Indexed keywords

CHEMINFORMATICS; CYCLIC STRUCTURE; MOLECULAR REPRESENTATION; POLY(METH)ACRYLATES; QSPR; RECURSIVE NEURAL NETWORK;

IONIC LIQUIDS; IONIZATION OF LIQUIDS; RECURSIVE FUNCTIONS; SALTS;

NEURAL NETWORKS;

POLYMER;

ARTICLE; CHEMICAL STRUCTURE; DNA TEMPLATE; GLASS TRANSITION TEMPERATURE; HUMAN; HUMAN CELL; MELTING POINT; MEMBRANE MODEL; MOLECULAR MODEL; NERVE CELL NETWORK; NERVE TRACT; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE PROPERTY RELATION;

COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER); POLYMERS; PROTEIN CONFORMATION; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; TRANSITION TEMPERATURE;

EID: 61449168800     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.12.001     Document Type: Article

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