Results 31 to 40 of about 393,404 (281)
Eccentricity based topological indices of siloxane and POPAM dendrimers
Main Group Metal Chemistry, 2020 A massive of early drug tests indicates that there is some strong inner connections among the bio-medical and pharmacology properties of nanostar dendrimers and their molecular structures.
Iqbal Muhammad Azhar +2 more
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On Relationships of Eigenvalue–Based Topological Molecular Descriptors
Acta Chimica Slovenica, 2020 Three eigenvalue-based topological molecular descriptors are compared using several datasets of alkanes. Two of them are well-known and frequently employed in various QSPR/QSAR investigations, and third-one is a newly derived whose predictive potential is yet to be proven. The relations among them are found and discussed.
Redžepović I., Furtula, Boris
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Keywords given by authors of scientific articles in database descriptors [PDF]
, 2007 This paper analyses the keywords given by authors of scientific articles and the descriptors assigned to the articles in order to ascertain the presence of the keywords in the descriptors.
Alonso-Arroyo, Adolfo +1 more
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How Small Can Faithful Sets Be? Ordering Topological Descriptors [PDF]
Recent developments in shape reconstruction and comparison call for the use of many different (topological) descriptor types, such as persistence diagrams and Euler characteristic functions. We establish a framework to quantitatively compare the strength
Millman, David L. +2 more
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Differences in topological progression profile among neurodegenerative diseases from imaging data
eLife, 2019 The spatial distribution of atrophy in neurodegenerative diseases suggests that brain connectivity mediates disease propagation. Different descriptors of the connectivity graph potentially relate to different underlying mechanisms of propagation ...
Sara Garbarino +13 more
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Chemical bond overlap descriptors from multiconfiguration wavefunctions [PDF]
, 2023 Chemical bonds are fundamental in chemistry, serving as the foundation for understanding molecular properties. Over time, various theories and descriptors have evolved to characterize these bonds since the inception of quantum mechanics.
Carlos, Santos-Jr, Renaldo, Moura Jr.
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Main Group Metal Chemistry, 2022 In terms of soil conditions, clay minerals infrequently occur as homogenous mixtures of single constituents, gatherings, stages, or types of minerals.
Ahmad Al-Nashri Al-Hossain +2 more
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Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis
International Journal of Analytical Chemistry, 2023 The main challenges faced by medical researchers while producing novel drugs are time commitment, amplified costs, creating a safety profile for the medications, reduced solubility, and a lack of experimental data.
Sobia Sultana
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C, 2022 Benzenoid hydrocarbons have regular structures, attracting the opportunity to test the structural descriptors of their series. In the present study, we compared information entropy, Wiener indices, topological efficiencies, topological roundness, and ...
Denis Sh. Sabirov +3 more
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Topological descriptor of thermal conductivity in amorphous Si
The Journal of Chemical Physics, 2022 Quantifying the correlation between the complex structures of amorphous materials and their physical properties has been a longstanding problem in materials science. In amorphous Si, a representative covalent amorphous solid, the presence of a medium-range order (MRO) has been intensively discussed.
Emi Minamitani +3 more
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