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A new approach for simultaneous calculation of pIC50 and logP through QSAR/QSPR modeling on anthracycline derivatives: a comparable study

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Computational study to select the capable anthracycline derivatives through an overview of drug structure-specificity and cancer cell line-specificity

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Phytochemicals toward Green (Bio)sensing

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Study of interaction of metal ions with methylthymol blue by chemometrics and quantum chemical calculations

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Simultaneous optical detection of human serum albumin and transferrin in body fluids

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
A novel label-free colorimetric aptasensor for sensitive determination of PSA biomarker using gold nanoparticles and a cationic polymer in human serum

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Facile Approach to Fabricate a Chemical Sensor Array Based on Nanocurcumin–Metal Ions Aggregates: Detection and Identification of DNA Nucleobases

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Predictive and Descriptive CoMFA Models: The Effect of Variable Selection

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Colorimetric Sensing of Iodide by the Competitive Interactions in the Surface of Gold Nanoparticles with the Simultaneous Aggregation/ Anti-Aggregation Mechanisms in Edible Salts

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Towards the In-silico Design of New HSP90 Inhibitors: Molecular Docking and 3D-QSAR CoMFA Studies of Tetrahydropyrido [4, 3-d] Pyrimidine Derivatives as HSP90 Inhibitors

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
The Identification of New CD38 Inhibitors by Combined Structure and Ligand Based Virtual Screening Approaches of ZINC Database

Jan 19, 2026 12:10:39 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Spectrophotometric and visual determination of zoledronic acid by using a bacterial cell-derived nanopaper doped with curcumin

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Development linear and non-linear QSAR models for predicting AXL kinase inhibitory activity of N-[4-(quinolin-4-yloxy)phenyl]benzenesulfonamides

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Two colorimetric ampicillin sensing schemes based on the interaction of aptamers with gold nanoparticles

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
The in silico identification of potent anti-cancer agents by targeting the ATP binding site of the N-domain of HSP90

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
A nanocellulose-based colorimetric assay kit for smartphone sensing of iron and iron-chelating deferoxamine drug in bioﬂuids

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Design of new CD38 inhibitors based on CoMFA modelling and molecular docking analysis of 4-amino-8-quinoline carboxamides and 2,4-diamino-8-quinazoline carboxamides

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
A paper-based optical probe for chromium by using gold nanoparticles modified with 2,2′-thiodiacetic acid and smartphone camera readout

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
In situ synthesis Bismarck brown R reductive products-immobilised AgNPs assisted by catalytic activity of AgNPs as colorimetric probe for Hg2+ detection in water

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Radial basis function neural networks based on the projection pursuit and principal component analysis approaches: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Enhanced Sensitivity to Detection Nanomolar Level of Cu2+ Compared to SpectrophotometryMethod by Functionalized GoldNanoparticles: Design of Sensor Assisted by Exploiting First-order Data with Chemometrics

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
The identification of new ATAD2 bromodomain inhibitors: the application of combined ligand and structure-based virtual screening

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Application of a new version of GA-RBF neural network for simultaneous spectrophotometric determination of Zn(II), Fe(II), Co(II) and Cu(II) in real samples: An exploratory study of their complexation abilities toward MTB

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
QSPR/QSAR solely based on molecular surface electrostatic potentials for benzenoid hydrocarbons

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Pharmacophore interactions analysis and prediction of inhibitory activity of 1,7‑diazacarbazoles as checkpoint kinase 1 inhibitors: application of molecular docking, 3D‑QSAR and RBF neural network

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Molecular docking and QSAR analysis of naphthyridone derivatives as ATAD2 bromodomain inhibitors: application of CoMFA, LS-SVM, and RBF neural network

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Design new P-glycoprotein modulators based on molecular docking and CoMFA study of a, b-unsaturated carbonyl-based compounds and oxime analogs as anticancer agents

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Molecular docking and CoMFA studies of thiazoloquin(az)olin(on)es as CD38 inhibitors: determination of inhibitory mechanism, pharmacophore interactions, and design of new inhibitors

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Simultaneously detection of calcium and magnesium in various samples by calmagite and chemometrics data processing

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Investigating the discrimination potential of linear and nonlinear spectral multivariate calibrations for analysis of phenolic compounds in their binary and ternary mixtures and calculation pKa values

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Radial basis function neural networks based on projection pursuit approach and solvatochromic descriptors: single and full column prediction of gas chromatography retention behavior of polychlorinated biphenyls

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Combining radial basis function neural network with genetic algorithm to QSPR modeling of adsorption on multi-walled carbon nanotubes surface

Jan 19, 2026 12:10:40 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Optimization of Auxiliary Solvent Demulsification Microextraction for Determination of Cyanide in Environmental Water and Biological Samples by Microvolume UV-Vis Spectrophotometry

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Investigation of retention behavior of anthraquinoids in RPHPLC on 17 different C18 stationary phases by means of quantitative structure retention relationships

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
SiC nanoparticles modified glassy carbon electrodes for simultaneous determination of purine and pyrimidine DNA bases

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
A novel non-enzymatic hydrogen peroxide sensor based on single walled carbon nanotubes–manganese complex modified glassy carbon electrode

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Simultaneous Determination of Antazoline and Naphazoline by the Net Analyte Signal Standard Addition Method and Spectrophotometric Technique

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
QSPR studies on normal boiling points and molar refractivities of organic compounds by correlation-ranking-based PCR and PC-ANN analyses of new topological indices

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Determination of nimesulide in human serum using a glassy carbon electrode modified with SiC nanoparticles

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly
Investigation of retention behavior of polychlorinated biphenyl congeners on 18 different HRGC columns using molecular surface average local ionization energy descriptors

Jan 19, 2026 12:10:41 PM

model.resource.ir.sain.university.scholarly.model.UniversityScholarly

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