Search results: Sage Journals

Restricted accessResearch articleFirst published February, 2020

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

Open accessResearch articleFirst published June, 2023

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

Restricted accessResearch articleFirst published July, 2009

Quantum similarity studies on the antimalarial agent Artemisinin

Álvaro Fernández, Luis Rincón, Rafael Almeida

Journal of Computational Methods in Sciences and Engineering

Free accessResearch articleFirst published May, 2018

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®

Restricted accessResearch articleFirst published March, 2008

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

A. Om, J.H. Kim

Journal of Medicinal Food

Free accessResearch articleFirst published November, 2010

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

R. Dutt, A.K. Madan

In Silico Biology

Restricted accessResearch articleFirst published May, 2009

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

Restricted accessResearch articleFirst published January, 1973

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

Joseph Schechter, Peter C. Jurs

Applied Spectroscopy

Restricted accessResearch articleFirst published August, 2021

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

Xinliang Yu, Hanlu Wang

Textile Research Journal

Free accessResearch articleFirst published September 21, 2023

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

Restricted accessResearch articleFirst published February, 2020

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

Open accessResearch articleFirst published June, 2023

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

Restricted accessResearch articleFirst published July, 2009

Quantum similarity studies on the antimalarial agent Artemisinin

Álvaro Fernández, Luis Rincón, Rafael Almeida

Journal of Computational Methods in Sciences and Engineering

Free accessResearch articleFirst published May, 2018

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®

Restricted accessResearch articleFirst published March, 2008

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

A. Om, J.H. Kim

Journal of Medicinal Food

Free accessResearch articleFirst published November, 2010

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

R. Dutt, A.K. Madan

In Silico Biology

Restricted accessResearch articleFirst published May, 2009

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

Restricted accessResearch articleFirst published January, 1973

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

Joseph Schechter, Peter C. Jurs

Applied Spectroscopy

Restricted accessResearch articleFirst published August, 2021

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

Xinliang Yu, Hanlu Wang

Textile Research Journal

Free accessResearch articleFirst published September 21, 2023

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