Mechanistic interpretation of artificial neural network-based QSAR model for prediction of cathepsin K inhibition potency

Journal of Chemometrics

Volumn 28, Issue 4, 2014, Pages 272-281

  Borišek, Jure ^a   Drgan, Viktor ^a   Minovski, Nikola ^a   Novič, Marjana ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

Cat K inhibitors; Drug design; Mechanistic interpretation; Osteoporosis; QSAR model

Indexed keywords

AMINO ACIDS; BONE; COMPUTATIONAL CHEMISTRY; DISEASES; ENZYMES; MOLECULAR GRAPHICS; NEURAL NETWORKS; STATISTICAL METHODS; SURFACE PROPERTIES;

CATHEPSIN K INHIBITOR; COUNTER PROPAGATION; CROSS VALIDATION; DRUG DESIGN; LEAVE ONE OUT; MECHANISTIC INTERPRETATIONS; NETWORK-BASED; OSTEOPOROSIS; QSAR MODEL; RESPONSE SURFACE;

BINDING SITES;

EID: 84897486898     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.2617     Document Type: Article

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