Keywords: مدل QSAR; Rejection mechanism; Phenolic compounds; Nanofiltration; Fruit juice; QSAR model; Glycerol (PubChem CID: 753); Glucose (PubChem CID: 5793); Polyethylene glycol (PubChem CID: 174); Gallic acid (PubChem CID: 370); Protocatechuate (PubChem CID: 72); Caffeic
مقالات ISI مدل QSAR (ترجمه نشده)
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Keywords: مدل QSAR; SAs; sulfonamides; WWWTP; wastewater treatment plants; QSAR; quantitative structure activity relationship; PLS; partial least squares regression; DHPS; dihydropteroate synthetase; AMO; ammonia monooxygenase; NOR; nitrite oxidoreductase; Nitrification; QSA
Keywords: مدل QSAR; Iodinated disinfection by-product; UV/PS; UV/H2O2; Sulfate radical; Hydroxyl radical; QSAR model
A Quantitative-Structure-Activity-Relationship (QSAR) model for the reaction rate constants of organic compounds during the ozonation process at different temperatures
Keywords: مدل QSAR; Ozonation; Reaction rate constants; Principal component; Temperature; QSAR model;
Combining DFT and QSAR computation to predict the interaction of flavonoids with the GABA (A) receptor using electronic and topological descriptors
Keywords: مدل QSAR; QSAR model; DFT study; Flavonoid derivatives; GABA (A) receptor; Artificial neural network (ANN);
Novel angiotensin I-converting enzyme inhibitory peptides from protease hydrolysates of Qula casein: Quantitative structure-activity relationship modeling and molecular docking study
Keywords: مدل QSAR; ACE inhibitory peptides; Chemically synthesis; Molecular docking; QSAR model; Qula casein; Enzymatic hydrolysis;
Design, synthesis and evaluation of 3-arylidene azetidin-2-ones as potential antifungal agents against Alternaria solani Sorauer
Keywords: مدل QSAR; 3-Arylidene azetidin-2-ones; Antifungal activity; QSAR model; Subcellular effect;
The inhibitory activity of aldose reductase of flavonoid compounds: Combining DFT and QSAR calculations
Keywords: مدل QSAR; QSAR model; DFT study; Flavonoids; Aldose reductase; Artificial neural network
Combining DFT and QSAR studies for predicting psychotomimetic activity of substituted phenethylamines using statistical methods
Keywords: مدل QSAR; DFT method; Phenethylamines; Psychotomimetic activity; QSAR model;
Photodegradation of iodinated trihalomethanes in aqueous solution by UV 254 irradiation
Keywords: مدل QSAR; Direct photolysis; Iodinated disinfection by-product; Quantum yield; Nitrate; Humic acid; Water matrix; QSAR model
Model for high-throughput screening of drug immunotoxicity – Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry
Keywords: مدل QSAR; High-throughput model; Drug immunotoxicity; Multiplex assay endpoints; Flow cytometry; Macrophage; QSAR model; ChEMBLQSAR/QSTR, quantitative-structure/toxicity relationship; LDA, linear discriminant analysis; ChEMBL, Chemical database of European Molecula
LC-MS/MS coupled with QSAR modeling in characterising of angiotensin I-converting enzyme inhibitory peptides from soybean proteins
Keywords: مدل QSAR; ACE inhibitory peptides; Soybean; QSAR model;
The use of quantitative structure–activity relationship models to develop optimized processes for the removal of tobacco host cell proteins during biopharmaceutical production
Keywords: مدل QSAR; Prediction of separation; Protein chromatography; Tobacco host cell proteins; QSAR model; Homology modeling
QSAR model for chemical penetration enhancers containing long hydrocarbon chain
Keywords: مدل QSAR; Chemical permeation enhancers; Skin penetration enhancers; Lipid; QSAR model; Transdermal drug delivery;
Hydrophobicity-dependent QSARs to predict the toxicity of perfluorinated carboxylic acids and their mixtures
Keywords: مدل QSAR; log K′OWlog K′OW, equivalent log KOW; log K′SDlog K′SD, equivalent log KSD; log K′MDlog K′MD, equivalent log KMDPerfluorinated carboxylic acids; Mixture toxicity; Hydrophobicity; QSAR model
Assessing the environmental risks associated with contaminated sites: Definition of an Ecotoxicological Classification index for landfill areas (ECRIS)
Keywords: مدل QSAR; Classification risk index; Landfill; Ecotoxicology; QSAR model; Soil; Leachate
Structure-guided expansion of kinase fragment libraries driven by support vector machine models
Keywords: مدل QSAR; FBDD; fragment-based drug design; SBDD; structure-based drug design; QSAR; quantitative structure activity relationship; SVM-FP; support vector machine-fingerprints; PPV; positive predicted value; LE; ligand efficiency; HAC; heavy atom count; AMW; atomi
Fuzzy filtering for robust bioconcentration factor modelling
Keywords: مدل QSAR; Bioconcentration factor; Fuzzy filter; Robustness; QSAR model
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
Keywords: مدل QSAR; QSAR model; Anabolic and androgenic activities; Testosterone and dihydrotestosterone steroid analogues; Genetic algorithm; Quantum and physicochemical molecular descriptor;
Kinase inhibitor recognition by use of a multivariable QSAR model
Keywords: مدل QSAR; QSAR model; Kinase inhibitor; Retrosynthetic program
QSAR analysis of soil sorption coefficients for polar organic chemicals: Substituted anilines and phenols
Keywords: مدل QSAR; Artificial neural networks (ANNs); Substituted anilines and phenols; Soil sorption coefficients; QSAR model; Polar organic chemicals
Assessing the reliability of a QSAR model's predictions
Keywords: مدل QSAR; QSAR model; Hierarchical clustering; Fathead minnow acute aquatic toxicity;