An Integrated drug development approach applying topological descriptors

Current Computer-Aided Drug Design

Volumn 8, Issue 3, 2012, Pages 172-181

  Talevi, Alan ^a,b   Bellera, Carolina L ^a,b   Di Ianni, Mauricio ^a,b   Duchowicz, Pablo R ^c   Bruno Blanch, Luis E ^a   Castro, Eduardo A ^c  

^a FACULTAD DE CIENCIAS EXACTAS   (Argentina)

^b Universidad Nacional de Río Cuarto Consejo Nacional de Investigaciones Científicas y Técnicas   (Argentina)

^c INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

Author keywords

ADMET filters; Classifiers; Drug repurposing; Linear models; QSAR; Replacement method; Topological descriptors; Virtual screening

Indexed keywords

BANDPASS FILTERS; COMPUTATIONAL CHEMISTRY; GLYCOPROTEINS; TOPOLOGY;

ADMET FILTER; DRUG DEVELOPMENT; DRUG DISCOVERY; DRUG REPURPOSING; LINEAR MODELING; QSAR; REPLACEMENT METHODS; REPURPOSING; TOPOLOGICAL DESCRIPTORS; VIRTUAL SCREENING;

DISCRIMINANT ANALYSIS;

GLYCOPROTEIN P; MULTIDRUG RESISTANCE PROTEIN 1;

AQUEOUS SOLUTION; ARTICLE; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; BIOINFORMATICS; CHEMICAL STRUCTURE; COMPUTER MODEL; DRUG APPROVAL; DRUG BIOAVAILABILITY; DRUG DELIVERY SYSTEM; DRUG DEVELOPMENT; DRUG FORMULATION; DRUG INDUSTRY; FOOD AND DRUG ADMINISTRATION; GENETIC ALGORITHM; HIGH THROUGHPUT SCREENING; HUMAN; HYDROPHILICITY; IC 50; INTESTINE MUCOSA PERMEABILITY; LINEAR DISCRIMINANT ANALYSIS; LINEAR SYSTEM; LIPOPHILICITY; MINIMUM INHIBITORY CONCENTRATION; PHARMACOLOGIC STRESS TESTING; PREDICTION; PROBABILITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPLACEMENT METHOD; SOLUBILITY; TEMPERATURE;

EID: 84863974131     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/157340912801619076     Document Type: Article

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