دانلود مقالات ISI درباره رابطه ساختاری و فعالیت کمی + ترجمه فارسی

Quantitative structure-activity relationship prediction of blood-to-brain partitioning behavior using support vector machine

Keywords: رابطه ساختاری و فعالیت کمی; Quantitative structure-activity relationship; Blood-to-brain barrier partitioning; Partial least squares; Support vector machine;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2012 سفارش ترجمه

Synthesis, biological evaluation and 3D-QSAR studies of novel 4,5-dihydro-1H-pyrazole niacinamide derivatives as BRAF inhibitors

Keywords: رابطه ساختاری و فعالیت کمی; BRAF; V-RAF murine sarcoma viral oncogene homolog B1; BRAFV600E; V600E mutant BRAF; IC50; half maximal inhibitory concentration; GI50; the concentration that causes 50% growth inhibition; 3D-QSAR; quantitative structure-activity relationship; Synthesis;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2012 سفارش ترجمه

The effect of formulations and experimental conditions on in vitro human skin permeation-Data from updated EDETOX database

Keywords: رابطه ساختاری و فعالیت کمی; GLM; general linear model; MAE; mean absolute error; QSAR; quantitative structure-activity relationship; RT; regression trees; SC; stratum corneum; SMILES; simplified molecular input line specifications; QSAR; Skin; Dermal; Permeation; Absorption; In vi

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2012 سفارش ترجمه

The effect of the length and flexibility of the side chain of basic amino acids on the binding of antimicrobial peptides to zwitterionic and anionic membrane model systems

Keywords: رابطه ساختاری و فعالیت کمی; AMP; antimicrobial peptide; CD; circular dichroism; Dab; diaminobutionic acid; DPC; dodecylphosphocholine; Dpr; diaminopropionic acid; ITC; isothermal titration calorimetry; LUV; large unilamellar vesicles; MIC; minimum inhibitory concentration; Oic; Octa

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2012 سفارش ترجمه

Elaborate ligand-based modeling and subsequent synthetic exploration unveil new nanomolar Ca2+/calmodulin-dependent protein kinase II inhibitory leads

Keywords: رابطه ساختاری و فعالیت کمی; Ca2+/calmodulin-dependent protein kinase II; CaMKIIδ; Pharmacophore modeling; Quantitative structure-activity relationship; In silico screening; Cardiovascular diseases; Triazine;

دانلود رایگان متن کامل مقاله ISI 24 صفحه سال انتشار : 2012 سفارش ترجمه

DEHP: Genotoxicity and potential carcinogenic mechanisms-A review

Keywords: رابطه ساختاری و فعالیت کمی; ADME; absorption, distribution, metabolism and elimination; CAR; constitutive androstane receptor; CERHR; NTP Center for the Evaluation of Risks to Human Reproduction; CHO; Chinese hamster ovary; CYP; cytochrome p450; CpG; cytosine guanine dinucleotide; D

دانلود رایگان متن کامل مقاله ISI 76 صفحه سال انتشار : 2012 سفارش ترجمه

QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants

Keywords: رابطه ساختاری و فعالیت کمی; ED; endocrine disrupting; REACH; Registration, Evaluation, Authorization and Restriction of Chemicals; QSAR; quantitative structure-activity relationship; OECD; Organization for Economic Cooperation and Development; BFRs; brominated flame retardants; T4

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Dermal penetration of propylene glycols: Measured absorption across human abdominal skin in vitro and comparison with a QSAR model

Keywords: رابطه ساختاری و فعالیت کمی; DPG; dipropylene glycol; Jss; penetration rate (flux) at steady-state; Kp; permeation coefficient; MEG; monoethylene glycol; MPG; monopropylene glycol; QSAR; quantitative structure-activity relationship; TPG; tripropylene glycol; Zi/Zf; initial/final el

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Application of quantitative structure-activity relationship to the determination of binding constant based on fluorescence quenching

Keywords: رابطه ساختاری و فعالیت کمی; Quantitative structure-activity relationship; Multiple linear regression; Radial basis function neural network; Binding constant; Fluorescence quenching;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Insights into the structure of urea-like compounds as inhibitors of the juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm Manduca sexta: Analysis of the binding modes and structure-activity relationships of the inhibitors by docking and Co

Keywords: رابطه ساختاری و فعالیت کمی; Juvenile hormone epoxide hydrolase inhibitors; Docking; Quantitative structure-activity relationship; QSAR alignment;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2011 سفارش ترجمه

The effect of the placement and total charge of the basic amino acid clusters on antibacterial organism selectivity and potency

Keywords: رابطه ساختاری و فعالیت کمی; Ahx; 6-aminohexanoic acid; AMP; antimicrobial peptide; βAla; beta alanine; CD; circular dichroism; Gaba; gamma aminobutyric acid; ITC; isothermal titration calorimetry; LUV; large unilamellar vesicles; MIC; minimum inhibitory concentration; MR; Mycobacte

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2011 سفارش ترجمه

Discovery of new nanomolar peroxisome proliferator-activated receptor γ activators via elaborate ligand-based modeling

Keywords: رابطه ساختاری و فعالیت کمی; Peroxisome Proliferator-activated receptor γ; Pharmacophore modeling; Quantitative structure-activity relationship; In silico screening; Type 2 diabetes mellitus;

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2011 سفارش ترجمه

Shuffling multivariate adaptive regression splines and adaptive neuro-fuzzy inference system as tools for QSAR study of SARS inhibitors

Keywords: رابطه ساختاری و فعالیت کمی; Severe acute respiratory syndrome; Pyridine N-oxide derivatives; Quantitative structure-activity relationship; Multivariate adaptive regression splines; Adaptive neuro-fuzzy inference system;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2009 سفارش ترجمه

Olfactory detectability of homologous n-alkylbenzenes as reflected by concentration-detection functions in humans

Keywords: رابطه ساختاری و فعالیت کمی; psychometric odor functions; odor detection thresholds; n-alkylbenzenes; olfactory structure-activity relationships; interindividual odor sensitivity; EOG; electro-olfactogram; ODT; odor detection threshold; OR; olfactory receptor; OSN; olfactory sensor

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2009 سفارش ترجمه

Synthesis and structure-activity relationships of N-(3-phenylpropyl)-N′-benzylpiperazines: Potent ligands for σ1 and σ2 receptors

Keywords: رابطه ساختاری و فعالیت کمی; Sigma receptor; Phenylpiperazines; Structure-activity relationships; QSAR; Quantitative structure-activity relationship; (+)PPP; (+)-3-(3-hydroxyphenyl)-N-(1-propyl)piperidine; SA4503; 1-(2-(3,4-dimethoxy-phenyl)ethyl)-4-(3-phenylpropyl)piperazine; DA

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2008 سفارش ترجمه

Extended topological indices and prediction of activities of chiral compounds

Keywords: رابطه ساختاری و فعالیت کمی; Quantitative structure-activity relationship; Chiral compounds; Chiral topological indices; Multiple regression analysis; Artificial neural network;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2006 سفارش ترجمه

QSAR study of anti-HIV HEPT analogues based on multi-objective genetic programming and counter-propagation neural network

Keywords: رابطه ساختاری و فعالیت کمی; Multi-objective optimization; Variable selection; HEPT; Genetic programming; Quantitative structure-activity relationship;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2006 سفارش ترجمه

Prediction of ozone tropospheric degradation rate constant of organic compounds by using artificial neural networks

Keywords: رابطه ساختاری و فعالیت کمی; Artificial neural network; Multiple linear regressions; Quantitative structure-activity relationship; Ozone degradation; Genetic algorithm;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2006 سفارش ترجمه

Novel potent and selective calcium-release-activated calcium (CRAC) channel inhibitors. Part 1: Synthesis and inhibitory activity of 5-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)-2-thiophenecarboxamides

Keywords: رابطه ساختاری و فعالیت کمی; Anti-inflammatory; Channel inhibitors; Ca2+-release-activated Ca2+ channel; CRAC channel; Interleukin-2; Quantitative structure-activity relationship;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2006 سفارش ترجمه

Oxidation of liposomal membrane suppressed by flavonoids: Quantitative structure-activity relationship

Keywords: رابطه ساختاری و فعالیت کمی; Flavonoids; Liposomes; Antioxidant activity; Quantitative structure-activity relationship;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2005 سفارش ترجمه

Determination of the potency and subunit-selectivity of ribonucleotide reductase inhibitors with a recombinant-holoenzyme-based in vitro assay

Keywords: رابطه ساختاری و فعالیت کمی; RR; ribonucleotide reductase; HU; hydroxyurea; SC; semicarbazide; SB-HSCs; Schiff bases of hydroxysemicarbazide; KB-WT; KB wild-type cells; KB-HUR; KB HU-resistant cells; EPR; electron paramagnetic resonance; QSAR; quantitative structure-activity relati

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2005 سفارش ترجمه

QSAR analysis of a series of 2-aryl(heteroaryl)-2,5-dihydropyrazolo[4,3-c]quinolin-3-(3H)-ones using piecewise hyper-sphere modeling by particle swarm optimization

Keywords: رابطه ساختاری و فعالیت کمی; Quantitative structure-activity relationship; Piecewise hyper-sphere modeling; Particle swarm optimization; 2-Aryl(heteroaryl)-2,5-dihydropyrazolo[4,3-c]quinolin-3-(3H)-ones;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2005 سفارش ترجمه

Application of genetic stochastic resonance algorithm to quantitative structure-activity relationship study

Keywords: رابطه ساختاری و فعالیت کمی; Genetic stochastic resonance; Quantitative structure-activity relationship; Feature selection;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2005 سفارش ترجمه

QSAR analysis of substituted bis[(acridine-4-carboxamide)propyl]methylamines using optimized block-wise variable combination by particle swarm optimization for partial least squares modeling

Keywords: رابطه ساختاری و فعالیت کمی; Quantitative structure-activity relationship; Optimized block-wise variable combination; Particle swarm optimization; Bis[(acridine-4-carboxamide)propyl]methylamines; Murine Lewis lung carcinoma cells;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2005 سفارش ترجمه

Mechanism of action of ferrocene derivatives on the catalytic activity of topoisomerase IIα and β-Distinct mode of action of two derivatives

Keywords: رابطه ساختاری و فعالیت کمی; Topoisomerase IIα; Topoisomerase IIβ; Ferrocene; Quantitative structure-activity relationship; Anti-cancer; Topo II poisons;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2005 سفارش ترجمه

The DNA trackwalkers: Principles of lesion search and recognition by DNA glycosylases

Keywords: رابطه ساختاری و فعالیت کمی; 1D, 3D; one-, three-dimensional; 8-oxoG, 8-oxodG; 8-oxoguanine, 8-oxo-2′-deoxyguanosine; AP; abasic (site); BER; base excision repair; DHU; dihydrouracil; dsDNA; double-stranded DNA; Fapy-A, Fapy-G; formamidopyrimidine derivatives of A and G, respective

دانلود رایگان متن کامل مقاله ISI 31 صفحه سال انتشار : 2005 سفارش ترجمه