Discover more insights into Qsar Model Qsar 모델

Qsar Model sentence examples within multiple linear regression



A comparative study on the removal of dyes from wastewater by nascent-state manganese dioxide and ferric hydroxide under acidic conditions


A combination of modeling and experimental approaches to investigate the novel nicotinohydrazone Schiff base and its complexes with Zn(II) and ZrO(II) as inhibitors for mild-steel corrosion in molar HCl

Qsar Model sentence examples within artificial neural network



In Silico Prediction of siRNA Ionizable-Lipid Nanoparticles in vivo Efficacy: Machine Learning Modeling Based on Formulation and Molecular Descriptors


Drug design of new 5-HT6R antagonists aided by artificial neural networks.

Qsar Model sentence examples within quantitative structure activity



Chemometric QSAR modeling of acute oral toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to rat using simple 2D descriptors and interspecies toxicity modeling with mouse.


Synthesis, 3D-QSAR and Molecular Docking Study of Nopol-Based 1,2,4-Triazole-Thioether Compounds as Potential Antifungal Agents



Qsar Model sentence examples within density functional theory



Human Health Risk Regulation of Reproductive Toxicity, Neurotoxicity, and Endocrine Disruption in Special Populations Exposed to Organophosphorus Flame Retardants


Human Health Risk Regulation of Reproductive Toxicity, Neurotoxicity, and Endocrine Disruption in Special Populations Exposed to Organophosphorus Flame Retardants

Qsar Model sentence examples within minimum inhibitory concentration



QSAR Models for Active Substances Against Pseudomonas aeruginosa Using Disk-diffusion Test Data


QSAR-based Physicochemical Properties of Isothiocyanate Antimicrobials against Gram-Negative and Gram-Positive Bacteria

Qsar Model sentence examples within quantitative structure–activity relationship



QSAR, molecular docking studies, ligand-based design and pharmacokinetic analysis on Maternal Embryonic Leucine Zipper Kinase (MELK) inhibitors as potential anti-triple-negative breast cancer (MDA-MB-231 cell line) drug compounds


Synthesis, Antifungal Activity, and 3D-QSAR Study of Novel Nopol-Derived 1,3,4-Thiadiazole-Thiourea Compounds

Qsar Model sentence examples within comparative molecular field



In silico design of novel FAK inhibitors using integrated molecular docking, 3D-QSAR and molecular dynamics simulation studies.


Synthesis, antifungal activity and 3D-QSAR study of novel acyl thiourea compounds containing gem-dimethylcyclopropane ring.

Qsar Model sentence examples within structure activity relationship



QSAR Studies to Predict Activity of HSP90 Inhibitors.


Discovery of Novel Chromone Derivatives as Potential Anti-TSWV Agents.

Qsar Model sentence examples within least squares regression



Structure-activity relationship study on therapeutically relevant EGFR double mutant inhibitors.

Qsar Model sentence examples within support vector machine



Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets

Qsar Model sentence examples within Developed Qsar Model



QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2


Alternative QSAR Study for Unsymmetrical Aromatic Disulfide Anti-SARS Inhibitors

Qsar Model sentence examples within 3d Qsar Model



QSAR Studies on Neuraminidase Inhibitors as Anti-influenza Agents


Gaussian field-based comparative 3D QSAR modelling for the identification of favourable pharmacophoric features of chromene derivatives as selective inhibitors of ALR2 over ALR1

Qsar Model sentence examples within Predictive Qsar Model



Binary and multi-class classification for androgen receptor agonists, antagonists and binders.


Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies

Qsar Model sentence examples within Robust Qsar Model



Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach


QSAR analysis of sodium glucose co–transporter 2 (SGLT2) inhibitors for anti-hyperglycaemic lead development

Qsar Model sentence examples within Develop Qsar Model



QSAR-based Physicochemical Properties of Isothiocyanate Antimicrobials against Gram-Negative and Gram-Positive Bacteria


Molecular fingerprint-based machine learning assisted QSAR model development for prediction of ionic liquid properties

Qsar Model sentence examples within Derived Qsar Model



Application of QSAR for the identification of key molecular fragments and reliable predictions of effects of textile dyes on growth rate and biomass values of Raphidocelis subcapitata.


QSAR studies on indole-azole Analogues using DTC tools; imidazole ring is more favorable for aromatase inhibition

Qsar Model sentence examples within Binary Qsar Model



Binary-QSAR guided virtual screening of FDA approved drugs and compounds in clinical investigation against SARS-CoV-2 main protease


Binary-QSAR guided virtual screening of FDA approved drugs and compounds in clinical investigation against SARS-CoV-2 main protease

Qsar Model sentence examples within Silico Qsar Model



Ferulic acid amide derivatives with varying inhibition of amyloid-β oligomerization and fibrillization.


Pharmacophore Based QSAR Modelling of Natural Leads in Antimicrobial Drug Design

Qsar Model sentence examples within 2d Qsar Model



The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity


Design, Synthesis, Biological Evaluation, 2D-QSAR Modeling, and Molecular Docking Studies of Novel 1H-3-Indolyl Derivatives as Significant Antioxidants

Qsar Model sentence examples within Two Qsar Model



Quantitative structure-activity relationship and machine learning studies of 2-thiazolylhydrazone derivatives with anti-Cryptococcus neoformans activity.


Quantitative Structure-Activity Study against Plasmodium falciparum of a Series of Derivatives of Azetidine-2-Carbonitriles by the Method of Density Functional Theory

Qsar Model sentence examples within Regression Qsar Model



Regression QSAR Models for Predicting HIV-1 Integrase Inhibitors


Regression QSAR Models for Predicting HIV-1 Integrase Inhibitors

Qsar Model sentence examples within Target Qsar Model



Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions


Multicellular Target QSAR Model for Simultaneous Prediction and Design of Anti-Pancreatic Cancer Agents

Qsar Model sentence examples within Linear Qsar Model



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


Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Predicted Pharmacokinetic Profiles

Qsar Model sentence examples within New Qsar Model



Development of a new quantitative structure–activity relationship model for predicting Ames mutagenicity of food flavor chemicals using StarDrop™ auto-Modeller™


Predicting the rate constants of volatile organic compounds (VOCs) with ozone reaction at different temperatures.

Qsar Model sentence examples within Best Qsar Model



SAR and QSAR research on tyrosinase inhibitors using machine learning methods


Classification and QSAR models of leukotriene A4 hydrolase (LTA4H) inhibitors by machine learning methods

Qsar Model sentence examples within Generated Qsar Model



Ligand-based drug design and molecular docking simulation studies of some novel anticancer compounds on MALME-3M melanoma cell line


Binding Free Energy (BFE) Calculations and Quantitative Structure–Activity Relationship (QSAR) Analysis of Schistosoma mansoni Histone Deacetylase 8 (smHDAC8) Inhibitors

Qsar Model sentence examples within Build Qsar Model



3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity


Practical constraints with machine learning in drug discovery

Qsar Model sentence examples within Reliable Qsar Model



SMILES-based QSAR and molecular docking study of xanthone derivatives as α-glucosidase inhibitors.


The index of ideality of correlation: QSAR studies of hepatitis C virus NS3/4A protease inhibitors using SMILES descriptors

Qsar Model sentence examples within Built Qsar Model



Ligand Based Design, ADMET and Molecular Docking Studies of Arylpiperazine Derivatives as Potent Anti-Proliferate Agents Against LNCAP Prostate Cancer Cell Lines


In silico Studies of some potential anti-cancer agents on M19-MEL cell line

Qsar Model sentence examples within Validated Qsar Model



Virtual screening of natural compounds as selective inhibitors of polo-like kinase-1 at C-terminal polo box and N-terminal catalytic domain.


Newly designed compounds from scaffolds of known actives as inhibitors of survivin: computational analysis from the perspective of fragment-based drug design

Qsar Model sentence examples within Toxicity Qsar Model



Hybrid In Silico and TR-FRET-Guided Discovery of Novel BCL-2 Inhibitors.


The Position of ADME Predictions in Multi-Objective QSAR

Qsar Model sentence examples within Predict Qsar Model



Artificial Intelligence Paradigm for Ligand-Based Virtual Screening on the Drug Discovery of Type 2 Diabetes Mellitus


Artificial intelligence paradigm for ligand-based virtual screening on the drug discovery of type 2 diabetes mellitus

Qsar Model sentence examples within My Qsar Model



Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors.


Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum-chemical descriptors.

Qsar Model sentence examples within Significant Qsar Model



Structure Activity Design, Synthesis and Biological Activity of Newer Imidazole-Triazine Clubbed Derivative as Antimicrobial and Antitubercular Agents


Pharmacophore model, docking, QSAR, and molecular dynamics simulation studies of substituted cyclic imides and herbal medicines as COX-2 inhibitors

Qsar Model sentence examples within qsar model development



QSAR Models for Active Substances Against Pseudomonas aeruginosa Using Disk-diffusion Test Data


Pharmacophore Based QSAR Modelling of Natural Leads in Antimicrobial Drug Design

Qsar Model sentence examples within qsar model also



A combination of modeling and experimental approaches to investigate the novel nicotinohydrazone Schiff base and its complexes with Zn(II) and ZrO(II) as inhibitors for mild-steel corrosion in molar HCl


Newly designed compounds from scaffolds of known actives as inhibitors of survivin: computational analysis from the perspective of fragment-based drug design

Qsar Model sentence examples within qsar model presented



Development of 2D, 3D-QSAR and Pharmacophore Modeling of Chalcones for the Inhibition of Monoamine Oxidase B.


In silico exploration of hydroxylated polychlorinated biphenyls as estrogen receptor β ligands by 3D-QSAR, molecular docking and molecular dynamics simulations.

Qsar Model sentence examples within qsar model showed



QSAR studies on indole-azole Analogues using DTC tools; imidazole ring is more favorable for aromatase inhibition


In silico Studies of some potential anti-cancer agents on M19-MEL cell line

Qsar Model sentence examples within qsar model constructed



Mechanism analysis of the phytotoxicity and phytodegradation of PCBs based on the 2D-QASR model and sensitivity analysis method


QSAR modeling and pharmacoinformatics of SARS coronavirus 3C-like protease inhibitors

Qsar Model sentence examples within qsar model predicted



Structure-activity relationship studies on 2,5,6-trisubstituted benzimidazoles targeting Mtb-FtsZ as antitubercular agents.


Evaluation of Firefly and Renilla Luciferase Inhibition in Reporter-Gene Assays: A Case of Isoflavonoids

Qsar Model sentence examples within qsar model combined



Structure-Based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural-Product-Derived IRAK-4 Inhibitors.


Discovery of Potent Natural-Product-Derived SIRT2 Inhibitors Using Structure-Based Exploration of SIRT2 Pharmacophoric Space Coupled With QSAR Analyses.


Benchmarks for interpretation of QSAR models


More Qsar Model Qsar 모델 sentence examples
10.2174/1568026621666210727161431

4D-QSAR models applied to the study of TGF- β1 receptor inhibitors.


More Qsar Model Qsar 모델 sentence examples
10.1016/j.aquatox.2021.105774

Identification and regulation of ecotoxicity of polychlorinated naphthalenes to aquatic food Chain (green algae-Daphnia magna-fish).



In Silico Screening of Novel α1-GABAA Receptor PAMs towards Schizophrenia Based on Combined Modeling Studies of Imidazo [1,2-a]-Pyridines



Simulation Studies 3D QSAR and Molecular Docking, on a Point Mutation of Protein Kinase B with Flavonoids Targeting Ovarian Cancer



Identification of first-in-class plasmodium OTU inhibitors with potent anti-malarial activity.


More Qsar Model Qsar 모델 sentence examples
10.1016/j.rechem.2021.100186

In-silico approach for designing novel urea/thiourea and schiff base of quinazolinone derivatives of molecular docking H+/K+-ATPase inhibitors


More Qsar Model Qsar 모델 sentence examples
10.1016/j.ecoenv.2021.112830

Prediction of phthalate acid esters degradation in soil using QSAR model: A combined consideration of soil properties and quantum chemical parameters.



QSAR analysis of 3-pyrimidin-4-yl-oxazolidin-2-one derivatives isocitrate dehydrogenase inhibitors using Topomer CoMFA and HQSAR methods.


More Qsar Model Qsar 모델 sentence examples
10.1016/j.chroma.2021.462398

Evaluation of guanidine-based multimodal anion exchangers for protein selectivity and orthogonality.



Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR model.



Machine Learning Methods to Predict the Terrestrial and Marine Origin of Natural Products



Performance of smoothly clipped absolute deviation as a variable selection method in the artificial neural network‐based QSAR studies



Development of QSAR ensemble models for predicting the PAMPA Effective Permeability of new, non-peptidic leads with potential antiviral activity against the coronavirus SARS-CoV-2.



QSAR and Ab Initio studies of quinolon-4(1H)-imine derivatives as antimalarial agents


More Qsar Model Qsar 모델 sentence examples
10.2174/1389450122999210104205732

Artificial Intelligence, Big data and Machine Learning approaches in Preci-sion Medicine & Drug Discovery.



Combined 3D-QSAR and Molecular Docking Analysis of Thienopyrimidine Derivatives as Staphylococcus aureus Inhibitors



SepPCNET: Deeping Learning on a 3D Surface Electrostatic Potential Point Cloud for Enhanced Toxicity Classification and Its Application to Suspected Environmental Estrogens.


Qsar Model Qsar 모델


Qsar Model Qsar 모델
Encyclopedia 백과사전