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Volumn 22, Issue 23, 2014, Pages 6706-6714
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Computational identification of a phospholipidosis toxicophore using 13C and 15N NMR-distance based fingerprints
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Author keywords
Fingerprint; Molecular modeling; Phospholipidosis; Quantitative spectral data activity; relationship (3D QSDAR); Toxicophore
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Indexed keywords
ALOGLIPTIN;
AMOXAPINE;
ANTIDEPRESSANT AGENT;
AROMATIC COMPOUND;
ATROPINE;
BEDAQUILINE;
CARBIDOPA;
CATIONIC AMPHIPHILIC DRUG;
CHLORPROMAZINE;
IPRATROPIUM BROMIDE;
LEVODOPA;
LOMITAPIDE;
LORCASERIN;
METHAPYRILENE;
METHYL GROUP;
METHYLDOPA;
PHENACETIN;
PROCHLORPERAZINE MALEATE;
TAMOXIFEN;
TOXIC SUBSTANCE;
TOXICOPHORE;
UNCLASSIFIED DRUG;
URSODEOXYCHOLIC ACID;
CARBON;
NITROGEN;
PHOSPHOLIPID;
SURFACTANT;
ACCURACY;
ALGORITHM;
AREA UNDER THE CURVE;
ARTICLE;
CARBON NUCLEAR MAGNETIC RESONANCE;
CHEMICAL PARAMETERS;
CLASSIFICATION;
COMPUTER SIMULATION;
CONFORMATIONAL TRANSITION;
CONTROLLED STUDY;
DRUG METABOLISM;
FALSE NEGATIVE RESULT;
FALSE POSITIVE RESULT;
INTER ATOMIC DISTANCE;
LIPIDOSIS;
MATHEMATICAL MODEL;
NITROGEN NUCLEAR MAGNETIC RESONANCE;
PARTIAL LEAST SQUARES REGRESSION;
PREDICTIVE VALUE;
PROCESS OPTIMIZATION;
PROTON NUCLEAR MAGNETIC RESONANCE;
QUANTITATIVE STRUCTURE ACTIVITY RELATION;
SENSITIVITY AND SPECIFICITY;
STRUCTURE ANALYSIS;
THREE DIMENSIONAL QUANTITATIVE SPECTRAL DATA ACTIVITY RELATIONSHIP MODEL;
VALIDATION PROCESS;
ADVERSE DRUG REACTION;
CHEMISTRY;
DERMATOGLYPHICS;
METABOLISM;
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;
ALGORITHMS;
CARBON ISOTOPES;
DERMATOGLYPHICS;
DRUG-RELATED SIDE EFFECTS AND ADVERSE REACTIONS;
MAGNETIC RESONANCE SPECTROSCOPY;
NITROGEN ISOTOPES;
PHOSPHOLIPIDS;
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;
SURFACE-ACTIVE AGENTS;
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EID: 84919827460
PISSN: 09680896
EISSN: 14643391
Source Type: Journal
DOI: 10.1016/j.bmc.2014.08.021 Document Type: Article |
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Times cited : (20)
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References (29)
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