hERG classification model based on a combination of support vector machine method and GRIND descriptors

Molecular Pharmaceutics

Volumn 5, Issue 1, 2008, Pages 117-127

  Li, Qiyuan ^a   Jørgensen, Flemming Steen ^b   Oprea, Tudor ^c   Brunak, Søren ^a   Taboureau, Olivier ^a,b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

^c UNIVERSITY OF NEW MEXICO SCHOOL OF MEDICINE   (United States)

Author keywords

Classification model; GRIND descriptors; Human Ether a go go Related Gene; Support vector machine

Indexed keywords

ANTIINFECTIVE AGENT; ATROPINE; BENFLUMETOL; CARVEDILOL; CIPROFLOXACIN; CISAPRIDE; CLEMASTINE; COCAINE; DROPERIDOL; EPINASTINE; HOMOCOCAINE; INDINAVIR; LORATADINE; MOXIFLOXACIN; NORFLOXACIN; OFLOXACIN; PIPERANOMETOZINE; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; RANOLAZINE; SAQUINAVIR; SERTINDOLE; SPARFLOXACIN; TERFENADINE; TOLTERODINE; VERAPAMIL; VINPOCETINE;

ACCURACY; ANIMAL CELL; ARTICLE; BIOASSAY; CLASSIFICATION ALGORITHM; CORRELATION COEFFICIENT; EMBRYO; GRIND DESCRIPTOR; HUMAN; HUMAN CELL; MODEL; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; SUPPORT VECTOR MACHINE;

COMPUTER SIMULATION; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MODELS, MOLECULAR; MODELS, THEORETICAL; POTASSIUM CHANNEL BLOCKERS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SENSITIVITY AND SPECIFICITY;

EID: 39749088786     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp700124e     Document Type: Article

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