Results 31 to 40 of about 877,283 (253)
Thermal Hydraulic Modeling of Once-Through Steam Generator by Two-Fluid U-Tube Steam Generator Code [PDF]
, 2017 The THERMIT U-tube steam generator (THERMIT-UTSG) code was used for evaluation for the parametric study of a scaled once-through pressurized water reactor steam generator (OTSG) made by Babcock & Wilcox.
M. Rahgoshay +7 more
core +6 more sources
Nature Communications, 2023 Isopropyl alcohol molecules, as a biomarker for anti-virus diagnosis, play a significant role in the area of environmental safety and healthcare relating volatile organic compounds. However, conventional gas molecule detection exhibits dramatic drawbacks,
Jianxiong Zhu +9 more
doaj +1 more source
A Deep Generative Model for Fragment-Based Molecule Generation
CoRR, 2020 Molecule generation is a challenging open problem in cheminformatics. Currently, deep generative approaches addressing the challenge belong to two broad categories, differing in how molecules are represented. One approach encodes molecular graphs as strings of text, and learns their corresponding character-based language model. Another, more expressive,
Podda, M, Bacciu, D, Micheli, A
openaire +4 more sources
Journal of Cheminformatics, 2021 Many contemporary cheminformatics methods, including computer-aided de novo drug design, hold promise to significantly accelerate and reduce the cost of drug discovery.
M. Sicho +3 more
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GPT like transformer based conditional molecule generator and a high drug-likeness (QED) dataset generation [PDF]
This study presents the development and evaluation of a novel GPT-like conditional molecule generator designed to optimize the synthesis of chemical compounds with desirable properties.
Juan , Yang, Wen, Xing
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Integrating synthetic accessibility with AI-based generative drug design
Journal of Cheminformatics, 2023 Generative models are frequently used for de novo design in drug discovery projects to propose new molecules. However, the question of whether or not the generated molecules can be synthesized is not systematically taken into account during generation ...
Maud Parrot +7 more
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Rapid determination of apolipoprotein E genotype using a heteroduplex generator
Journal of Lipid Research, 1999 The apoE gene exhibits two common polymorphisms that have been associated with both coronary artery disease and Alzheimer's disease. The polymorphisms create the three allelic isoforms E2, E3, and E4 which are encoded by Cys–Cys, Cys–Arg, and Arg–Arg at ...
M.K. Bolla, N. Wood, S.E. Humphries
doaj +1 more source
Atoms, 2020 A model for the description of proton collisions from molecules composed of atoms such as hydrogen, carbon, nitrogen, oxygen and phosphorus (H, C, N, O, P) was recently extended to treat collisions with multiply charged ions with a focus on net ...
Hans Jürgen Lüdde +3 more
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The General Structure of Transfer RNA Molecules [PDF]
Proceedings of the National Academy of Sciences, 1974 The three-dimensional structure of yeast phenylalanine tRNA serves as a useful basis for understanding the tertiary structure of all tRNAs. A large number of tRNA sequences have been surveyed and some general conclusions are drawn. There are only a few regions in the molecule in which there are differences in the number of nucleotides; and the ...
S H, Kim +7 more
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SILVR: Guided Diffusion for Molecule Generation
Journal of Chemical Information and Modeling, 2023 paper, 20 paper, 11 ...
Nicholas T. Runcie, Antonia S. J. S. Mey
openaire +4 more sources