Results 41 to 50 of about 104,482 (285)
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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Encoding Robust Representation for Graph Generation
, 2019 Generative networks have made it possible to generate meaningful signals such as images and texts from simple noise. Recently, generative methods based on GAN and VAE were developed for graphs and graph signals.
Lerman, Gilad, Zou, Dongmian
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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
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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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, 2016 The time-dependent optical properties of molecular systems are investigated by step-scan Fourier-transform spectroscopy in order to explore the dynamics at phase transitions and molecular orientation in the milli- and microsecond range.
Dressel, Martin, Peterseim, Tobias
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Spectrum Generating Algebra for X$_{3}$ Molecules
Physical review. A, Atomic, molecular, and optical physics, 1995 15 pages, to appear in Physical Review ...
Bijker, R. +2 more
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Metode Reversible Self-Dual untuk Konstruksi Kode DNA atas Lapangan Hingga GF(4)
Jambura Journal of Mathematics, 2022 The DNA molecule chain consists of two complementary strands composed of a sequence of four nucleotide bases, namely adenine (A), cytosine (C), guanine (G) and thymine (T).
Juli Loisiana Butar-Butar +1 more
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Bounding the Equilibrium Distribution of Markov Population Models [PDF]
, 2010 Arguing about the equilibrium distribution of continuous-time Markov chains can be vital for showing properties about the underlying systems. For example in biological systems, bistability of a chemical reaction network can hint at its function as a ...
Dayar, Tugrul +3 more
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Crystals, 2022 Calculations with high accuracy for atomic and inter-atomic properties, such as nuclear magnetic resonance (NMR) spectroscopy and bond dissociation energies (BDEs) are valuable for pharmaceutical molecule structural analysis, drug exploration, and ...
Peng Gao +4 more
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Bidirectional Molecule Generation with Recurrent Neural Networks [PDF]
Journal of Chemical Information and Modeling, 2020 ISSN:1549 ...
Francesca Grisoni +3 more
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