Sage Journals: Discover world-class research

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Research article

First published 2008-09

New Antitrichomonal Drug-like Chemicals Selected by Bond (Edge)-Based TOMOCOMD-CARDD Descriptors

Alfredo Meneses-Marcel, Oscar M. Rivera-Borroto, Yovani Marrero-Ponce [...]

Journal of Biomolecular Screening

Open access

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 2013-3

Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling

Thashmee Karunaratne, Henrik Boström, Ulf Norinder

Intelligent Data Analysis: An International Journal

Open access

Research article

First published 2010

QSPR Modeling of Bioconcentration Factors of Nonionic Organic Compounds

Omar Deeb, Padmakar V. Khadikar, Mohammad Goodarzi

Environmental Health Insights

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Research article

First published 1998-3

Structural Analysis of a Group of Phytoestrogens for the Presence of a 2-D Geometric Descriptor Associated with Non-genotoxic Carcinogens and Some Estrogens

A. R. Cunningham, H. S. Rosenkranz, G. Klopman

Experimental Biology and Medicine

Open access

Research article

First published 2024-10

Exploring structural variations and topological descriptors of square-hexagonal kink chains of type T 2,2 in engineering applications

Bai Chunsong, Maham Khalil, Asima Razzaque [...]

Advances in Mechanical Engineering

Open access

Research article

First published 2020

Proton transfer reaction confined within carbon nanotubes: Density functional theory and quantitative structure–property relationship analysis

Bilal Achouri, Yamina Belmiloud, Meziane Brahimi

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2013-3

A Practical Estimation Method for Analyzing Adverse Drug Reactions Using Data Mining

Yuko Shirakuni, Kousuke Okamoto, Etuko Uejima [...]

Therapeutic Innovation & Regulatory Science

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Research article

First published 2007-02

Predicting human skin absorption of chemicals: development of a novel quantitative structure activity relationship

Wen Luo, Sarah Medrek, Jatin Misra [...]

Toxicology and Industrial Health

Free access

Research article

First published 2014-6

On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors

Mari Hansson, John Pemberton, Ola Engkvist [...]

Journal of Biomolecular Screening

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