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A Concise Review on the Significance of QSAR in Drug Design


Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

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Predicting zebrafish (Danio rerio) embryo developmental toxicity through a non-conformational QSAR approach.


On the use of electronegativity and electron affinity based pseudo‐molecular field descriptors in developing correlations for quantitative structure‐activity relationship modeling of drug activities


Multiple Conformer Descriptors for QSAR Modeling.



Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?


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10.1016/j.chemolab.2021.104266

QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods


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10.4028/www.scientific.net/MSF.1025.219

In Silico Functional and Structural Insight of Prenylated Pyrazolocurcumin Derivative Associated with the PGE2 Inhibition through mPGES-1 Blocking



Monte Carlo Optimization-Based QSAR Study of Some Indole-Based Mcl-1 Inhibitors


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10.1016/j.heliyon.2021.e06603

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties


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10.48317/IMIST.PRSM/MORJCHEM-V9I2.18721

In silico analysis of 3D QSAR and Molecular Docking studies to discover new thiadiazole-thiazolone derivatives as mitotic kinesin Eg5 inhibition



Molecular modelling of epitopes recognized by neoplastic B lymphocytes in Chronic Lymphocytic Leukemia.



4D-QSAR Study of 17β-Hydroxysteroid Dehydrogenase Type 3 Inhibitors


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10.2174/1871530319666190304121826

Lead Optimization Resources in Drug Discovery for Diabetes.



Predictive models in ecotoxicology: Bridging the gap between scientific progress and regulatory applicability-Remarks and research needs.



Quantitative structure–activity relationship to predict the anti-malarial activity in a set of new imidazolopiperazines based on artificial neural networks



CORAL: Building up QSAR models for the chromosome aberration test



Physiology-based toxicokinetic modelling in the frame of the European Human Biomonitoring Initiative.


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10.1016/B978-0-12-809633-8.20197-0

Quantitative Structure-Activity Relationship (QSAR): Modeling Approaches to Biological Applications



Curcumin-Synthetic Analogs Library Screening by Docking and Quantitative Structure-Activity Relationship Studies for AXL Tyrosine Kinase Inhibition in Cancers



Molecular docking and 4D-QSAR model of methanone derivatives by electron conformational-genetic algorithm method


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10.1021/acs.chemrestox.9b00256

Biological potential of novel methoxy and hydroxy substituted heteroaromatic amides designed as promising antioxidative agents: Synthesis, 3D-QSAR analysis and biological activity.



The activity prediction of indole inhibitors against HCV NS5B polymerase



The activity of methacrylate esters in skin sensitisation test methods: A review


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