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Polycyclic aromatic compounds (Print), 2023
Topological indices (TIs) have several biological applications in the treatment of blood cancer. TIs can be used to predict the efficacy of drugs in cancer treatment by providing information about the molecular structures of the drugs and their related ...
Shahid Zaman +3 more
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Topological indices (TIs) have several biological applications in the treatment of blood cancer. TIs can be used to predict the efficacy of drugs in cancer treatment by providing information about the molecular structures of the drugs and their related ...
Shahid Zaman +3 more
semanticscholar +1 more source
QSPR analysis of fluorophilicity for organic compounds
Journal of Fluorine Chemistry, 2007Abstract We constructed a QSPR model from 116 organic compounds for the prediction of fluorophilicity. The 1268 theoretical descriptors explored by means of linear regressions, encoding different aspects of the topological, geometrical, and electronic molecular structure, lead to an optimal seven-parameter equation with a correlation coefficient R ...
Andrew G. Mercader +4 more
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Polycyclic aromatic compounds (Print), 2023
Degree-based topological indices are very useful tools to model and characterize the molecular structure of drugs in order to predict their physicochemical properties without going into laborious and time-consuming laboratory experiments.
Abdul Hakeem +3 more
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Degree-based topological indices are very useful tools to model and characterize the molecular structure of drugs in order to predict their physicochemical properties without going into laborious and time-consuming laboratory experiments.
Abdul Hakeem +3 more
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QSPR Analysis of Diverse Drugs Using Linear Regression for Predicting Physical Properties
Polycyclic aromatic compounds (Print), 2023The study focused on QSPR (Quantitative Structure-Property Relationship) analysis using a variety of topological indices on the medications Mefloquinone, Sertraline, Niclosamide, Tizoxanide, PHA-690509, Ribavirin, Emricasan, and Sofosbuvir.
Jia Wei +4 more
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Rank-based ant system method for non-linear QSPR analysis: QSPR studies of the solubility parameter
SAR and QSAR in Environmental Research, 2012The solubility parameter (δ) plays a unique role in the development of stable pharmaceutical formulations for assessing phase segregation during product synthesis. Understanding this parameter helps to determine how a drug substance will behave when processed or when dosed in vivo. The aim of this work was to develop a novel comprehensive yet rapid and
M, Bagheri, A, Golbraikh
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Analysis and refinement of the targeted QSPR method
Computers & Chemical Engineering, 2008Abstract The targeted quantitative structure–property relationship (TQSPR) method of Brauner et al. [Brauner, N., Stateva, R. P., Cholakov, G. St., & Shacham, M. (2006). A structurally “targeted” QSPR method for property prediction. Industrial & Engineering Chemistry Research, 45, 8430–8437] is analyzed in this study with respect to its various ...
Olaf Kahrs +5 more
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On QSPR analysis of glaucoma drugs using machine learning with XGBoost and regression models
Comput. Biol. MedicineGlaucoma is an irreversible, progressive, degenerative eye disorder arising because of increased intraocular pressure, resulting in eventual vision loss if untreated. The QSPR relates, mathematically, by employing various algorithms, a specified property
Lina Huang +4 more
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Polycyclic aromatic compounds (Print), 2023
Breast cancer is one of the most leading deadly diseases in the world whose ranks first among all oncological diseases in women and it is the second spearheading reason of cancer deadness after lung cancer in the United States.
Esra Öztürk Sözen, Elif Eryaşar
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Breast cancer is one of the most leading deadly diseases in the world whose ranks first among all oncological diseases in women and it is the second spearheading reason of cancer deadness after lung cancer in the United States.
Esra Öztürk Sözen, Elif Eryaşar
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Comput. Biol. Medicine
Brain tumors pose a significant health challenge due to their aggressive nature, complex structure, and often poor prognosis. They can be categorized as benign or malignant, with gliomas being the most prevalent and deadly form.
A. Mahboob +3 more
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Brain tumors pose a significant health challenge due to their aggressive nature, complex structure, and often poor prognosis. They can be categorized as benign or malignant, with gliomas being the most prevalent and deadly form.
A. Mahboob +3 more
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On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer
Polycyclic aromatic compounds (Print), 2021A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds then it reflects the theoretical properties of the chemical compounds. In this article, well-known degree
Syed Ahtsham ul Haq Bokhary +3 more
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