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Research article

First published 2020-2

Molecular structures and calculations of reactivity descriptors of new di-organotin (IV) phenoxyacetohydroxamate complexes: Insights from density functional theory

Vineet Kumar Choudhary, Sachin Bhardwaj, Arvind Kumar Bhatt [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2023-6

Methoxy 13 C NMR Chemical Shift as a Molecular Descriptor in the Structural Analysis of Flavonoids and Other Phenolic Compounds

Pawan K. Agrawal, Gerald Blunden

Natural Product Communications

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Research article

First published 2009-7

Quantum similarity studies on the antimalarial agent Artemisinin

Álvaro Fernández, Luis Rincón, Rafael Almeida

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2018-5

Factors Influencing the Potency of Alzheimer Inhibitors: Computational and Docking Studies

Faten Atlam, Mohamed Awad, Rehab Salama

American Journal of Alzheimer's Disease & Other Dementias®

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Research article

First published 2008-03

A Quantitative Structure-Activity Relationship Model for Radical Scavenging Activity of Flavonoids

A. Om, J.H. Kim

Journal of Medicinal Food

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Research article

First published 2010-11

Models for Cannabinoid-1 Receptor Antagonistic Activity of Substituted 2-(3-Pyrazolyl)-1,3,4-Oxadiazoles

R. Dutt, A.K. Madan

In Silico Biology

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Research article

First published 1973-1

Generation of Simulated Mass Spectra of Small Organic Molecules by Computerized Pattern Recognition Techniques

Joseph Schechter, Peter C. Jurs

Applied Spectroscopy

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Research article

First published 2009-5

Models for prediction of anti- HIV-1 activity of 5-Alkyl-2-alkylamino-6-(2,6-difluorophenylalkyl)-3,4-dihydropyrimidin-4(3H)-ones using random forest,decision tree and moving average analysis

Rohit Dutt, Harish Dureja, A.K. Madan

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2021-8

Support vector machine classification model for color fastness to ironing of vat dyes

Xinliang Yu, Hanlu Wang

Textile Research Journal

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Research article

First published 2023-09-21

Identification of new dihydrophenanthrene derivatives as promising anti-SARS-CoV-2 drugs through in silico investigations

Imane Yamari, Oussama Abchir, Hassan Nour [...]

Main Group Chemistry

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