دانلود مقالات ISI درباره بزرگسال + ترجمه فارسی

Drug interaction study of flavonoids toward CYP3A4 and their quantitative structure activity relationship (QSAR) analysis for predicting potential effects

Keywords: بزرگسال ; CYPs; cytochrome P450s; HDIs; herb-drug interactions; HLMs; human liver microsomes; NADP＋; β-nicotinamide adenine dinucleotide phosphate; QSAR; quantitative structure activity relationship; CoMFA; comparative molecular field analysis; LC-MS; liquid c

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2018 سفارش ترجمه

QSAR models for describing the toxicological effects of ILs against Staphylococcus aureus based on norm indexes

Keywords: بزرگسال ; Staphylococcus aureus; Ionic liquids; QSAR; Antibacterial toxicity; Norm index;

دانلود رایگان متن کامل مقاله ISI 34 صفحه سال انتشار : 2018 سفارش ترجمه

QSAR models for describing the toxicological effects of ILs against Candida albicans based on norm indexes

Keywords: بزرگسال ; Candida albicans; Ionic liquids; QSAR; Antifungal toxicity; Norm index;

دانلود رایگان متن کامل مقاله ISI 34 صفحه سال انتشار : 2018 سفارش ترجمه

Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity prediction

Keywords: بزرگسال ; Carcinogenicity; Cancer; Assay; QSAR; Machine learning; Prediction; Cheminformatics;

دانلود رایگان متن کامل مقاله ISI 36 صفحه سال انتشار : 2018 سفارش ترجمه

A comprehensive review on xanthone derivatives as α-glucosidase inhibitors

Keywords: بزرگسال ; Diabetes; α-Glucosidase; Inhibition; QSAR; Xanthone; Abs; absorbance; Ac; acetyl; Bn; benzyl; Bu; butyl; CoMFA; Comparative Molecular Field Analysis; CoMSIA; Comparative Molecular Similarity Indices Analysis; Et; ethyl; geranyl; -CH2CH=C(Me)-(CH2)2-CH=C(

دانلود رایگان متن کامل مقاله ISI 38 صفحه سال انتشار : 2018 سفارش ترجمه

Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors

Keywords: بزرگسال ; AChE/BuChE; ADME; Molecular docking; Molecular dynamics; QSAR;

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2018 سفارش ترجمه

k-nearest neighbor normalized error for visualization and reconstruction - A new measure for data visualization performance

Keywords: بزرگسال ; Data visualization; Performance; Measure; QSAR; QSPR; Nonlinear;

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2018 سفارش ترجمه

Construction and application of (Q)SAR models to predict chemical-induced in vitro chromosome aberrations

Keywords: بزرگسال ; Chromosome aberration; In vitro; Structure-activity relationship; (Q)SAR; QSAR; Computational toxicology; Genotoxicity; Genetic toxicity; Drug; Regulatory review;

دانلود رایگان متن کامل مقاله ISI 48 صفحه سال انتشار : 2018 سفارش ترجمه

pH-permeability profiles for drug substances: Experimental detection, comparison with human intestinal absorption and modelling

Keywords: بزرگسال ; PAMPA; pH-permeability profile; QSAR; Cut-off based classification; Human gastrointestinal absorption;

دانلود رایگان متن کامل مقاله ISI 50 صفحه سال انتشار : 2018 سفارش ترجمه

HDAC3 is a potential validated target for cancer: An overview on the benzamide-based selective HDAC3 inhibitors through comparative SAR/QSAR/QAAR approaches

Keywords: بزرگسال ; Cancer; Benzamide; Selective HDAC3 inhibitors; SAR; QSAR; QAAR;

دانلود رایگان متن کامل مقاله ISI 51 صفحه سال انتشار : 2018 سفارش ترجمه

Initial hazard assessment of 4-benzylphenol, a structural analog of bisphenol F: Genotoxicity tests in vitro and a 28-day repeated-dose toxicity study in rats

Keywords: بزرگسال ; CAS no. 101-53-1; 4-Benzylphenol; Genotoxicity; Repeated-dose toxicity; Rat; Gavage; NOAEL; D-value; Hazard class; Screening risk assessment; CHL; Chinese hamster lung fibroblastic cell; CSCL; The Japanese Chemical Substances Control Law; JECDB; Japan Exi

دانلود رایگان متن کامل مقاله ISI 53 صفحه سال انتشار : 2018 سفارش ترجمه

Synthesis, docking, QSAR, ADMET and antimicrobial evaluation of new quinoline-3-carbonitrile derivatives as potential DNA-gyrase inhibitors

Keywords: بزرگسال ; ADMET; DNA-gyrase; Antimicrobial activity; Docking; QSAR; Quinoline-3-carbonitrile;

دانلود رایگان متن کامل مقاله ISI 63 صفحه سال انتشار : 2018 سفارش ترجمه

Finding synergies for 3Rs - Toxicokinetics and read-across: Report from an EPAA partners' Forum

Keywords: بزرگسال ; Physiologically-based kinetic (PBK) modelling; Hazard and risk assessment; Weight-of-evidence (WoE); Threshold of toxicological concern (TTC); In vitro to in vivo extrapolation (IVIVE); Integrated approach for testing and assessment (IATA); Absorption; Di

دانلود رایگان متن کامل مقاله ISI 68 صفحه سال انتشار : 2018 سفارش ترجمه

Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools

Keywords: بزرگسال ; Aminoarylthiazole; Corrector; QSAR; Cystic fibrosis; CFTR; VX809; CF; cystic fibrosis; CFTR; CF transmembrane conductance regulator; AATs; aminoarylthiazoles; HS-YFP; halide-sensitive yellow fluorescent protein; QSAR; quantitative-structure activity relat

دانلود رایگان متن کامل مقاله ISI 108 صفحه سال انتشار : 2018 سفارش ترجمه

CORAL and Nano-QFAR: Quantitative feature - Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co3O4, and TiO2)

Keywords: بزرگسال ; QSAR; Nano-QSAR; QFAR; Quasi-SMILES; CORAL free software;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2017 سفارش ترجمه

QSAR study of pyrazolo[4,3-e][1,2,4]triazine sulfonamides against tumor-associated human carbonic anhydrase isoforms IX and XII

Keywords: بزرگسال ; Pyrazolotriazine sulfonamide; Molecular descriptor; Carbonic anhydrase; QSAR; MLR;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Evaluation of existing (Q)SAR models for skin and eye irritation and corrosion to use for REACH registration

Keywords: بزرگسال ; QSAR; Irritation; Corrosion; Performance indicator; Accuracy; Modelling;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORAL software and EFSA's OpenFoodTox database

Keywords: بزرگسال ; QSAR; OECD; Monte Carlo method; Rainbow trout; Toxicity; CORAL software;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Fuzzy clustering as rational partition method for QSAR

Keywords: بزرگسال ; Data partition; Fuzzy clustering; Regression; Extreme Learning Machine; k-means clustering; Minimal Test Set Dissimilarity; QSAR; Validation;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis, anti-Trypanosoma cruzi activity and quantitative structure relationships of some fluorinated thiosemicarbazones

Keywords: بزرگسال ; Thiosemicarbazones; Antiparasitic activity; QSAR; Trypanosoma cruzi;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

AOPs in hazard characterization for human health

Keywords: بزرگسال ; Mode of action; Adverse outcome pathways; Key event; Key event relationship; Weight of evidence; Quantitation; AO; adverse outcome; AOP; adverse outcome pathway; AOP-KB; adverse outcome pathway knowledge base; B/H; Bradford-Hill; EAGMST; OECD Extended Adv

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

PyDescriptor: A new PyMOL plugin for calculating thousands of easily understandable molecular descriptors

Keywords: بزرگسال ; Molecular descriptors; PyMOL; PyDescriptor; QSAR; Interpretation; OECD; Organisation for Economic Co-operation and Development; WHO; World health organisation; ADMET; Absorption, Distribution, Metabolism, Excretion and Toxicity; OLS; Ordinary Least Square

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

3D-QSAR predictions for α-cyclodextrin binding constants using quantum mechanically based descriptors

Keywords: بزرگسال ; α-Cyclodextrin (CD); Binding constant; Inclusion complex; Prediction; αCD; α-cyclodextrin; QSAR; quantitative structure activity relationship; LSPs; local sigma profiles; COSMO; conductor-like screening model; CoMFA; comparative molecular field analysi

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?

Keywords: بزرگسال ; QSAR; Predictive potential; Index of ideality of correlation; Mutagenicity; Salmonella typhimurium; CORAL software;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

Predicting acute contact toxicity of pesticides in honeybees (Apis mellifera) through a k-nearest neighbor model

Keywords: بزرگسال ; Pesticides; Honey bees; k-NN; In silico models; Acute contact toxicity; EFSA; European Food Safety Authority; US-EPA; Unites States Environmental Protection Agency; k-NN; K-Nearest Neighbor; LD50; Dose killing half the test organisms after a specified tes

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?

Keywords: بزرگسال ; QSAR; Predictive potential; Index of ideality of correlation; Monte Carlo method; Human skin permeability; CORAL software;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

QSAR modeling for anti-human African trypanosomiasis activity of substituted 2-Phenylimidazopyridines

Keywords: بزرگسال ; Anti-HAT activity; QSAR; Substituted 2-Phenylimidazopyridines; HAT; Human African Trypanosomiasis; GA; Genetic algorithm; MLR; Multiple linear Regression; QSAR; Quantitative structure-activity analysis; WHO; World health organization; ADMET; Absorption, D

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Quantitative structure-activity relationship studies on acetylcholinesterase enzyme inhibitory effects of Amaryllidaceae alkaloids

Keywords: بزرگسال ; Acetylcholinesterase enzyme; Amaryllidaceae; Alkaloids; QSAR;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Comprehensive comparison of twenty structural characterization scales applied as QSAM of antimicrobial dodecapeptides derived from Bac2A against P. aeruginosa

Keywords: بزرگسال ; QSAM; Quantitative sequence-activity modeling; QSAR; Quantitative structure-activity relationship; AMPs; Antimicrobial peptides; GA; Genetic algorithm; PLS; Partial least squares; PCA; Principal component analysis; FASGAI; Factor analysis scale of general

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Brief CommunicationQSAR, docking studies of 1,3-thiazinan-3-yl isonicotinamide derivatives for antitubercular activity

Keywords: بزرگسال ; QSAR; Docking; Thiazinan-3-yl isonicotinamide; Enoyl ACP reductase;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis

Keywords: بزرگسال ; QSAR; Sigma receptor; Sigma-2 Receptor; Monte Carlo method; Repurposing; CORAL software; Virtual screening;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Kinetics, mechanisms, and influencing factors on the treatment of haloacetonitriles (HANs) in water by two household heating devices

Keywords: بزرگسال ; DBP; Household water treatment; Volatilization; Thermal hydrolysis; QSAR;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Development of QSAR model to predict the ecotoxicity of Vibrio fischeri using COSMO-RS descriptors

Keywords: بزرگسال ; Ionic liquids; Eco-toxicity; Vibrio fischeri; QSAR; Sigma profile; Molecular descriptors;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2017 سفارش ترجمه

Efficacy and cytotoxicity in cell culture of novel α-hydroxytropolone inhibitors of hepatitis B virus ribonuclease H

Keywords: بزرگسال ; HBV; RNaseH; Tropolones; Antiviral; QSAR;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2017 سفارش ترجمه

Inhibitory potential of flavonoids on PtdIns(3,4,5)P3 binding with the phosphoinositide-dependent kinase 1 pleckstrin homology domain

Keywords: بزرگسال ; PtdIns(3,4,5)P3; Pleckstrin homology (PH) domain; PDK1; Flavonoid; QSAR;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis, evaluation and quantitative structure-activity relationship (QSAR) analysis of Wogonin derivatives as cytotoxic agents

Keywords: بزرگسال ; Wogonin; QSAR; Cytotoxic; Flavonoid;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2017 سفارش ترجمه

Constraint score for semi-supervised feature selection in ligand-and receptor-based QSAR on serine/threonine-protein kinase PLK3 inhibitors

Keywords: بزرگسال ; Feature selection; Pairwise constraints; Semi-supervised; Constraint score; QSAR; Docking;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2017 سفارش ترجمه

Toxicity of Quaternary Ammonium Compounds (QACs) as single compounds and mixtures to aquatic non-target microorganisms: Experimental data and predictive models

Keywords: بزرگسال ; ATMAC-16; hexadecyl trimethyl ammonium chloride; BAC-12; benzyl dimethyl dodecyl ammonium chloride; CA; Concentration Addition; C10TAB; decyl trimethyl ammonium bromide; C14TAB; tetradecyl trimethyl ammonium bromide; DADMAC-10; didecyl dimethyl ammonium c

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2017 سفارش ترجمه

How important is to detect systematic error in predictions and understand statistical applicability domain of QSAR models?

Keywords: بزرگسال ; Error; Residual; QSAR; Bias; Variance; Systematic error;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2017 سفارش ترجمه

QSAR models for thyroperoxidase inhibition and screening of U.S. and EU chemical inventories

Keywords: بزرگسال ; QSAR; Thyroperoxidase (TPO) inhibition; Adverse Outcome Pathway (AOP); Screening; BHA; REACH; AD; applicability domain; AOP; adverse outcome pathway; AUR; Amplex®UltraRed; BHA; butylated hydroxyanisole; DNT; developmental neurotoxicity; DTU Food; Technic

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2017 سفارش ترجمه

Dihydropyrazole and dihydropyrrole structures based design of Kif15 inhibitors as novel therapeutic agents for cancer

Keywords: بزرگسال ; Motor protein; Pharmacophore; QSAR; Virtual screening; Docking;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2017 سفارش ترجمه

Membrane partitioning of ionic liquid cations, anions and ion pairs - Estimating the bioconcentration potential of organic ions

Keywords: بزرگسال ; Bioaccumulation; Lipid-water partitioning; PBT assessment; PFAS; QSAR;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

QSAR model for blood-brain barrier permeation

Keywords: بزرگسال ; QSAR; Blood-brain barrier; Monte Carlo method; Computer-aided drug design; CORAL software;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

In silico receptor-based drug design of X,Y-benzenesulfonamide derivatives as selective COX-2 inhibitors

Keywords: بزرگسال ; QSAR; Docking; Cyclooxygenase; Benzenesulfonamides; Drug design; Artificial neural networks;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L.

Keywords: بزرگسال ; Perovskia atriplicifolia (Lamiaceae); Salvia glutinosa (Lamiaceae); Tanshinones; Diterpenes; Cholinesterase inhibition; Butyrylcholinesterase; QSAR; Molecular modeling;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

Design and combinatorial library generation of 1H 1,4 benzodiazepine 2,5 diones as photosystem-II inhibitors: A public QSAR approach

Keywords: بزرگسال ; PS-II; QSAR; GFA; MAE; AD; Open source;

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2017 سفارش ترجمه

Novel 2-benzylthio-5-(1,3,4-oxadiazol-2-yl)benzenesulfonamides with anticancer activity: Synthesis, QSAR study, and metabolic stability

Keywords: بزرگسال ; 2-Mercaptobenzenesulfonamide; Synthesis; 1,3,4-Oxadiazole; Anticancer activity; QSAR; Metabolic stability; RXWMIDCHADMLTA-UHFFFAOYSA-N; NYKXLLRMQVSYSI-UHFFFAOYSA-N; KIOPAJUWSSWZNF-UHFFFAOYSA-N; NSSMUONXQDEUTA-UHFFFAOYSA-N; VULJIZVBMIZUKD-UHFFFAOYSA-N; JHA

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2017 سفارش ترجمه

6-Benzylidene-2-[4-(pyridin-3-ylcarboxy)benzylidene]cyclohexanones: A novel cluster of tumour-selective cytotoxins

Keywords: بزرگسال ; Conjugated unsaturated ketones; Cytotoxins; Tumour-selective toxicity; Structure-activity relationships; QSAR; Niacin;

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2017 سفارش ترجمه

Identification of natural allosteric inhibitor for Akt1 protein through computational approaches and in vitro evaluation

Keywords: بزرگسال ; PKB; protein kinase B; CPH; common pharmacophore hypothesis; RMSE; root mean-square error; PLS; partial least-squares; QSAR; quantitative structure-activity relationship; TCM; traditional Chinese medicine; HTVS; high-throughput virtual screening; SP; stan

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2017 سفارش ترجمه

QSAR study of the non-peptidic inhibitors of procollagen C-proteinase based on Multiple linear regression, principle component regression, and partial least squares

Keywords: بزرگسال ; Fibrosis; Procollagen C-proteinase inhibitors; QSAR; MLR; PLS; PCR;

دانلود رایگان متن کامل مقاله ISI 18 صفحه سال انتشار : 2017 سفارش ترجمه