Search Results - "Mozafari, Zeinab"
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QSRR models for predicting the retention indices of VOCs in different datasets using an efficient variable selection method coupled with artificial neural network modeling: ANN-based QSPR modeling
Published in Journal of the Iranian Chemical Society (01-06-2022)“…A combination of the smoothly clipped absolute deviation (SCAD) method and the artificial neural network (ANN) was utilized as a novel methodology (SCAD-ANN)…”
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Synthesis, and molecular docking studies of novel 1,2,3-triazoles-linked pyrazole carboxamides as significant anti-microbial and anti-cancer agents
Published in Results in Chemistry (01-10-2024)“…[Display omitted] •A series of substituted novel 1,2,3-triazoles-linked pyrazole carboxamide were synthesized and characterized.•Compound 7a showed the most…”
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Combination of radial distribution functions as structural descriptors with ligand-receptor interaction information in the QSAR study of some 4-anilinoquinazoline derivatives as potent EGFR inhibitors
Published in Structural chemistry (01-08-2020)“…In this paper, we report the use of a mixture of radial distribution functions (RDFs) and molecular docking descriptors (MDDs), as a new group of descriptors,…”
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Application of the LAD-LASSO as a dimensional reduction technique in the ANN-based QSAR study: Discovery of potent inhibitors using molecular docking simulation
Published in Chemometrics and intelligent laboratory systems (15-03-2022)“…In this study, the combination of the least absolute deviation-least absolute shrinkage and selection operator (LAD-LASSO) was introduced as a new variable…”
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Combination of least absolute shrinkage and selection operator with Bayesian Regularization artificial neural network (LASSO-BR-ANN) for QSAR studies using functional group and molecular docking mixed descriptors
Published in Chemometrics and intelligent laboratory systems (15-05-2020)“…A combination of least absolute shrinkage and selection operator (LASSO) with Bayesian Regularization feed-forward artificial neural network (LASSO-BR-ANN) was…”
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The efficiency of ligand–receptor interaction information alone as new descriptors in QSAR modeling via random forest artificial neural network
Published in Chemical biology & drug design (01-08-2020)“…A new approach is introduced for the construction of a predictive quantitative structure–activity relationship model in which only ligand–receptor (LR)…”
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Performance of smoothly clipped absolute deviation as a variable selection method in the artificial neural network‐based QSAR studies
Published in Journal of chemometrics (01-05-2021)“…A hybrid of smoothly clipped absolute deviation (SCAD) and Levenberg‐ Marquardt artificial neural network (LM‐ANN) was used as an efficient approach…”
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Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities
Published in Dalton transactions : an international journal of inorganic chemistry (21-02-2013)“…Reaction of sulfonium ylides (Me)(2)SCHC(O)C(6)H(4)R (R = H; m-NO(2); p-NO(2); p-OMe; p-Me and p-Br) with AgNO(3) in dichloromethane leads to various…”
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LM-ANN-based QSAR model for the prediction of pEC50 for a set of potent NNRTI using the mixture of ligand–receptor interaction information and drug-like indexes
Published in Network modeling and analysis in health informatics and bioinformatics (Wien) (01-12-2020)“…A combination of ligand–receptor interactions and drug-like indexes have been used to develop a quantitative structure–activity relationship model to predict…”
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Transition Metal Complexes of α-Keto Stabilized Sulfonium Ylides: Linear in Contrast to Bridging Structure in Silver(I) Complexes
Published in Phosphorus, sulfur, and silicon and the related elements (04-03-2015)“…The reactions of α-keto stabilized sulfonium ylide (Me) 2 SCHC(O)C 6 H 4 ‒m‒NO 2 (Y 1 ) with HgX 2 [X˭Cl (1), Br (2) and I (3)] in equimolar ratios and CdCl 2…”
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Transition Metal Complexes of [alpha]-Keto Stabilized Sulfonium Ylides: Linear in Contrast to Bridging Structure in Silver(I) Complexes
Published in Phosphorus, sulfur, and silicon and the related elements (01-03-2015)“…The reactions of α-keto stabilized sulfonium ylide (Me)2SCHC(O)C6H4-m-NO2 (Y1) with HgX2 [X=Cl (1), Br (2) and I (3)] in equimolar ratios and CdCl2.H2O (4) in…”
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