Zobrazeno 1 - 10
of 9 018
pro vyhledávání: '"MOLECULAR-STRUCTURES"'
Publikováno v:
BMC Bioinformatics, Vol 25, Iss 1, Pp 1-18 (2024)
Abstract Background The identification of drug side effects plays a critical role in drug repositioning and drug screening. While clinical experiments yield accurate and reliable information about drug-related side effects, they are costly and time-c
Externí odkaz:
https://doaj.org/article/491e6b09636f4ab4ad9595323c2a1ed1
Autor:
Kamel Mansouri, José T. Moreira-Filho, Charles N. Lowe, Nathaniel Charest, Todd Martin, Valery Tkachenko, Richard Judson, Mike Conway, Nicole C. Kleinstreuer, Antony J. Williams
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-18 (2024)
Abstract The rapid increase of publicly available chemical structures and associated experimental data presents a valuable opportunity to build robust QSAR models for applications in different fields. However, the common concern is the quality of bot
Externí odkaz:
https://doaj.org/article/ca62db38853a477f8e316d435cd15cb9
Publikováno v:
Molecules, Vol 29, Iss 12, p 2947 (2024)
(1) Background: In the quest to accurately model the radiolysis of water in its supercritical state, a detailed understanding of water’s molecular structure, particularly how water molecules are arranged in this unique state, is essential. (2) Meth
Externí odkaz:
https://doaj.org/article/c3a6286a348449ac828394c27ed35a9a
Publikováno v:
Data in Brief, Vol 52, Iss , Pp 109907- (2024)
Asphaltenes, a distinct class of molecules found in crude oil, exhibit insolubility in nonpolar solvents like n-heptane but are soluble in aromatic solvents such as toluene and benzene. Understanding asphaltenes is crucial in the petroleum industry d
Externí odkaz:
https://doaj.org/article/bee3c234a7744227843641a20690dcc7
Publikováno v:
Results in Chemistry, Vol 7, Iss , Pp 101458- (2024)
Chemical graph theory represents an interdisciplinary field at the intersection of chemistry and mathematics, focusing on the analysis of various chemical structures through graph-theoretical frameworks. This area facilitates the examination of compl
Externí odkaz:
https://doaj.org/article/559593c96dc74dea8f82314801233786
Publikováno v:
ChemElectroChem, Vol 10, Iss 24, Pp n/a-n/a (2023)
Abstract Anion exchange membranes (AEMs), which consist of positively charged groups, not only allow the directional transport of OH− but can also separate anode and cathode reactions. Over the past decades, significant progress has been made in th
Externí odkaz:
https://doaj.org/article/2771ed977aba44f48bcc6841b0e015a5
Publikováno v:
Catalysis Communications, Vol 185, Iss , Pp 106807- (2023)
Zinc oxide (ZnO) nanorods were coated on glass substrates and used as photocatalysts to evaluate the kinetic behavior of three different aromatic structures: i) single aromatic ring (phenol), ii) poly-aromatic ring (methylene blue), and iii) complex
Externí odkaz:
https://doaj.org/article/c576cfda7f4b489f8c362c0d9e61bd4f
Publikováno v:
Chemistry, Vol 5, Iss 2, Pp 813-833 (2023)
A variety of coinage-metal complexes containing perfluorinated carboxylate ligands, together with their structures and thermal behavior, are reported. The silver(I) salts were accessible from the direct reaction of Ag2O with the acids in toluene. The
Externí odkaz:
https://doaj.org/article/56593230ab6741b6a6ea3086b6109dd6
Publikováno v:
Animal Bioscience, Vol 36, Iss 3, Pp 451-460 (2023)
Objective This program aimed to reveal the association of feed intrinsic molecular structure with nutrient supply to animals from canola feedstocks and co-products from bio-oil processing. The special objective of this study was to quantify the relat
Externí odkaz:
https://doaj.org/article/72a9ea8a93b54890939ab1590f4439f3
Publikováno v:
Animal Bioscience, Vol 36, Iss 2, Pp 256-263 (2023)
Objective Feed molecular structures can affect its availability to gastrointestinal enzymes which impact its digestibility and absorption. The molecular spectroscopy-attenuated total reflectance Fourier transform infrared vibrational spectroscopy (AT
Externí odkaz:
https://doaj.org/article/ca37b5a9ad93468a9b5f4e4dbe3e68c6