Zobrazeno 1 - 10
of 391
pro vyhledávání: ''
Publikováno v:
Journal of Chemical Information and Modeling. 61:5395-5413
In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the glass transition temperature Tg and other properties of polymers has attracted extensive attention. This data-centric approach is much more efficient and
Autor:
Muhammad Kamran Siddiqui, Muhammad Rafiullah, Hafiz Muhammad Afzal Siddiqui, Mlamuli Dhlamini
Publikováno v:
Journal of Chemistry, Vol 2021 (2021)
A topological index is a characteristic value which represents some structural properties of a chemical graph. We study strong double graphs and their generalization to compute Zagreb indices and Zagreb coindices. We provide their explicit computing
Autor:
Daniela Rus, Connor W. Coley, Sangeeta N. Bhatia, Ava P. Soleimany, Alexander Amini, Samuel Goldman
Publikováno v:
ACS Central Science, Vol 7, Iss 8, Pp 1356-1367 (2021)
ACS Central Science
ACS Central Science
While neural networks achieve state-of-the-art performance for many molecular modeling and structure–property prediction tasks, these models can struggle with generalization to out-of-domain examples, exhibit poor sample efficiency, and produce unc
Publikováno v:
Journal of Mathematical Chemistry. 59:1837-1850
In this paper, we have introduced a new Genocchi polynomial approximation method for solving Bratu-type equations arising in Engineering. With the help of Genocchi operational matrices of derivatives, the nonlinear differential equations are converte
Autor:
Alaa A. Elewi
Publikováno v:
Iraqi Journal of Science. :1956-1960
Let be a ring with identity and be a submodule of a left - module . A submodule of is called - small in denoted by , in case for any submodule of , implies . Submodule of is called semi -T- small in , denoted by , provided for submodule of , implies
Autor:
Nelson Flores-Gallegos
Publikováno v:
Nelson Flores-Gallegos
In this work, we presented a generalization of Renyi’s entropy using Jackson’s integral to obtain an expression linked to the electronic correlation; as study cases, we analyzed the first thirty-six atoms in their ground state and a set of 1842 m
Autor:
Ali J. Mohammad, Amal K. Hassan
Publikováno v:
Iraqi Journal of Science. :1666-1674
This paper introduces a generalization sequence of positive and linear operators of integral type based on two parameters to improve the order of approximation. First, the simultaneous approximation is studied and a Voronovskaja-type asymptotic formu
Publikováno v:
Journal of Mathematical and Fundamental Sciences, Vol 53, Iss 1 (2021)
In the present article, we give new techniques for proving general identities of the Popoviciu type for discrete cases of sums for two dimensions using higher-order ∇-divided difference. Also, integral cases are deduced by different methods for dif
Publikováno v:
Iraqi Journal of Science. :1284-1292
The concept of closed quasi principally injective acts over monoids is introduced ,which signifies a generalization for the quasi principally injective as well as for the closed quasi injective acts. Characterization of this concept is intended to sh
Publikováno v:
Iraqi Journal of Science. :1314-1320
In this paper, we introduce a type of modules, namely S-K-nonsingular modules, which is a generalization of K-nonsingular modules. A comprehensive study of these classes of modules is given.