Predictivity approach for quantitative structure-property models. Application for blood-brain barrier permeation of diverse drug-like compounds

International Journal of Molecular Sciences

Volumn 12, Issue 7, 2011, Pages 4348-4364

  Bolboacǎ, Sorana D ^a   Jäntschi, Lorentz ^b  

^a IULIU HATIEGANU UNIVERSITY OF MEDICINE AND PHARMACY   (Romania)

^b Veterinary Medicine Cluj Napoca   (Romania)

Author keywords

Blood brain barrier (BBB); In silico prediction; Molecular descriptors family on vertices cutting (MDFV); Partition coefficient; Permeation; Structure property relationship (SPR)

Indexed keywords

2 BUTANONE; ACETYLSALICYLIC ACID; AMITRIPTYLINE; CARBAMAZEPINE; CARBAMAZEPINE 10,11 OXIDE; CHLORAMBUCIL; CIMETIDINE; CLONIDINE; DESIPRAMINE; DOMPERIDONE; ICOTIDINE; IMIPRAMINE; LUPITIDINE; MEPYRAMINE; MIANSERIN; MIRTAZAPINE; MORPHINE; PENTOBARBITAL; PHENYLALANINE; PHENYTOIN; PHYSOSTIGMINE; PROPRANOLOL; RANITIDINE; RISPERIDONE; TEMELASTINE; TIBOLONE; TIOTIDINE; UNINDEXED DRUG; VALPROIC ACID; ZOLANTIDINE; DRUG;

ACCURACY; ARTICLE; BLOOD BRAIN BARRIER; CALCULATION; COMPUTER ANALYSIS; COMPUTER MODEL; CONFIDENCE INTERVAL; CONTINGENCY TABLE; CONTROLLED STUDY; DRUG PENETRATION; MULTIPLE LINEAR REGRESSION ANALYSIS; PREDICTION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SENSITIVITY AND SPECIFICITY; CHEMISTRY; METABOLISM; PERMEABILITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; THEORETICAL MODEL;

BLOOD-BRAIN BARRIER; LINEAR MODELS; MODELS, THEORETICAL; PERMEABILITY; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79960775642     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12074348     Document Type: Article

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