Results 1 to 10 of about 822,180 (287)

Radical Scavenging Mechanisms of Phenolic Compounds: A Quantitative Structure-Property Relationship (QSPR) Study [PDF]

Frontiers in Nutrition, 2022
Due to their antioxidant properties, secondary plant metabolites can scavenge free radicals such as reactive oxygen species and protect foods from oxidation processes.
Melanie Platzer, Melanie Platzer, Sandra Kiese, Thorsten Tybussek, Thomas Herfellner, Franziska Schneider, Ute Schweiggert-Weisz, Ute Schweiggert-Weisz, Peter Eisner, Peter Eisner, Peter Eisner   +10 more
doaj   +2 more sources

QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool [PDF]

Journal of Cheminformatics
Building reliable and robust quantitative structure–property relationship (QSPR) models is a challenging task. First, the experimental data needs to be obtained, analyzed and curated.
Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet. H. van der Graaf, Gerard J. P. van Westen   +12 more
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Interactions of Indole Derivatives with β-Cyclodextrin: A Quantitative Structure-Property Relationship Study. [PDF]

PLoS ONE, 2016
Retention factors for 31 indole derivatives, most of them with auxin activity, were determined by high-performance liquid chromatography, using bonded β-cyclodextrin as a stationary phase.
Milan Šoškić, Ivana Porobić
doaj   +2 more sources

Synthesis, quantitative structure–property relationship study of novel fluorescence active 2-pyrazolines and application [PDF]

Royal Society Open Science, 2018
A variety of fluorescence-active fluorinated pyrazolines 13–33 was synthesized in good yields through cyclocondensation reaction of propenones 1–9 with aryl hydrazines 10–12.
Adel S. Girgis, Altaf H. Basta, Houssni El-Saied, Mohamed A. Mohamed, Ahmad H. Bedair, Ahmad S. Salim   +5 more
doaj   +2 more sources

Quantitative structure property relationship and multiattribute decision analysis of antianginal drugs using topological indices [PDF]

Scientific Reports
Angina is a condition characterized by chest pain or discomfort due to insufficient blood flow to the heart muscle. Effective management focuses on reducing symptoms and preventing disease progression through lifestyle modifications, medications, and ...
Muhammad Waheed Rasheed, Abid Mahboob, Ali Ovais, Nimra Shabbir, Abdu Alameri   +4 more
doaj   +2 more sources

Quantitative structure–property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices [PDF]

Frontiers in Chemistry
IntroductionThe increasing incidence and high mortality rate of necrotizing fasciitis (NF), a rapidly progressing infection of the fascia and subcutaneous tissue, highlights the urgent need for effective drug evaluation strategies.
A. Joy Prisca, B. Jaganathan
doaj   +2 more sources

Prediction of Lower Flammability Limits for Binary Hydrocarbon Gases by Quantitative Structure—Property Relationship Approach [PDF]

Molecules, 2019
The lower flammability limit (LFL) is one of the most important parameters for evaluating the fire and explosion hazards of flammable gases or vapors. This study proposed quantitative structure−property relationship (QSPR) models to predict the LFL of ...
Yong Pan, Xianke Ji, Li Ding, Juncheng Jiang   +3 more
doaj   +2 more sources

Quantitative structure-property relationship (QSPR) modeling of drug-loaded polymeric micelles via genetic function approximation. [PDF]

PLoS ONE, 2015
Self-assembled nano-micelles of amphiphilic polymers represent a novel anticancer drug delivery system. However, their full clinical utilization remains challenging because the quantitative structure-property relationship (QSPR) between the polymer ...
Wensheng Wu, Canyang Zhang, Wenjing Lin, Quan Chen, Xindong Guo, Yu Qian, Lijuan Zhang   +6 more
doaj   +2 more sources

Towards the Development of Global Nano-Quantitative Structure–Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles [PDF]

Nanomaterials, 2018
Zeta potential indirectly reflects a charge of the surface of nanoparticles in solutions and could be used to represent the stability of the colloidal solution. As processes of synthesis, testing and evaluation of new nanomaterials are expensive and time-
Andrey A. Toropov, Natalia Sizochenko, Alla P. Toropova, Jerzy Leszczynski   +3 more
doaj   +2 more sources

Valency based novel quantitative structure property relationship (QSPR) approach for predicting physical properties of polycyclic chemical compounds [PDF]

Scientific Reports
In this study, we introduce a novel valency-based index, the neighborhood face index (NFI), designed to characterize the structural attributes of benzenoid hydrocarbons.
Ali Raza, Mishal Ismaeel, Fikadu Tesgera Tolasa   +2 more
doaj   +2 more sources