Results 21 to 30 of about 25,447,146 (290)
Chemical element transport in stellar evolution models [PDF]
Royal Society Open Science, 2017 Stellar evolution computations provide the foundation of several methods applied to study the evolutionary properties of stars and stellar populations, both Galactic and extragalactic.
Maurizio Salaris, Santi Cassisi
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Toward Stable, General Machine‐Learned Models of the Atmospheric Chemical System
Journal of Geophysical Research: Atmospheres, 2020 Atmospheric chemistry models—components in models that simulate air pollution and climate change—are computationally expensive. Previous studies have shown that machine‐learned atmospheric chemical solvers can be orders of magnitude faster than ...
Makoto M. Kelp +4 more
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Active Colloids as Models, Materials, and Machines.
Annual Review of Chemical and Biomolecular Engineering, 2023 Active colloids use energy input at the particle level to propel persistent motion and direct dynamic assemblies. We consider three types of colloids animated by chemical reactions, time-varying magnetic fields, and electric currents.
K. Bishop, S. Biswal, B. Bharti
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Modification of N-terminal α-amine of proteins via biomimetic ortho-quinone-mediated oxidation
Nature Communications, 2021 Methods for selective modification of the N-terminus of proteins are of high interest, but mostly require specific amino acid residues. Here, the authors report a selective and fast method for N-terminal modification of proteins based on quinone-mediated
Siyao Wang +8 more
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Environmental Science and Technology, 2019 An accurate fine-resolution surface of the chemical composition of fine particulate matter (PM2.5) would offer valuable information for epidemiological studies and health impact assessments.
A. van Donkelaar +3 more
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Comparative Study of Deep Generative Models on Chemical Space Coverage
Journal of Chemical Information and Modeling, 2020 In recent years, deep molecular generative models have emerged as promising methods for de novo molecular design. Thanks to the rapid advance of deep learning techniques, deep learning architectures such as recurrent neural networks, variational ...
J. Zhang +3 more
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Química Nova, 2008 A diagnostic instrument was developed to evaluate the basic chemistry concepts held by freshmen students of the three Chemistry undergraduate courses offered by the University of São Paulo.
Carmen Fernandez +3 more
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Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction [PDF]
Journal of Chemical Information and Modeling, 2017 Median lethal death, LD50, is a general indicator of compound acute oral toxicity (AOT). Various in silico methods were developed for AOT prediction to reduce costs and time.
Youjun Xu, Jianfeng Pei, L. Lai
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Exploring chemical space — Generative models and their evaluation
Artificial Intelligence in the Life Sciences, 2023 Recent advances in the field of artificial intelligence, specifically regarding deep learning methods, have invigorated research into novel ways for the exploration of chemical space.
Martin Vogt
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Journal of the Electrochemical Society, 2019 The maximum energy that lithium-ion batteries can store decreases as they are used because of various irreversible degradation mechanisms. Many models of degradation have been proposed in the literature, sometimes with a small experimental data set for ...
Jorn M. Reniers, D. Howey, G. Mulder
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