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Published in 2023 at "Small"
DOI: 10.1002/smll.202207106
Abstract: Organic chemistry has seen colossal progress due to machine learning (ML). However, the translation of artificial intelligence (AI) into materials science is challenging, where biological behavior prediction becomes even more complicated. Nanotoxicity is a critical…
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Keywords:
quantitative prediction;
machine learning;
prediction inorganic;
prediction ... See more keywords
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Published in 2017 at "Food Science and Biotechnology"
DOI: 10.1007/s10068-017-0263-3
Abstract: High throughput screening of citrus samples containing elevated concentrations of total carotenoids, flavonoids, and phenolic compounds was accomplished using ultraviolet–visible spectroscopy and Fourier transform infrared (FT-IR) spectroscopy, combined with multivariate analysis. Principal component analysis and…
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Keywords:
carotenoids flavonoids;
quantitative prediction;
spectroscopy;
phenolic compounds ... See more keywords
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Published in 2020 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2019.12.019
Abstract: Abstract Several compression-ignition and low-temperature combustion strategies require a fuel where the ignition-delay-time (IDT) is highly sensitive to the fuel-to-air equivalence ratio (ϕ). Quantitative prediction of ϕ-sensitivity (i.e., the change in IDT with respect to…
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Keywords:
sensitivity;
fuel;
quantitative prediction;
ignition delay ... See more keywords
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Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00268
Abstract: The prediction of transport properties of room-temperature ionic liquids from nonpolarizable force field-based simulations has long been a challenge. The uniform charge scaling method has been widely used to improve the agreement with the experiment…
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Keywords:
force;
quantitative prediction;
force field;
refined force ... See more keywords
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Published in 2020 at "Macromolecules"
DOI: 10.1021/acs.macromol.0c00664
Abstract: Elastomeric proteins made of tandemly arranged individually folded globular domains have been used as building blocks to construct protein hydrogels with tailored mechanical properties. However, cl...
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Keywords:
protein;
properties tandem;
quantitative prediction;
prediction mechanical ... See more keywords
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1
Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c06591
Abstract: Herein, we systematically studied the electronic and conducting properties of 9,10-anthraquinone (AQ) and its derivatives and discussed the substitute-site effects on their organic field-effect transistor (OFET) properties in detail. Our calculation results show the influence…
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Keywords:
charge mobilities;
quantitative prediction;
charge;
prediction charge ... See more keywords
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Published in 2025 at "Scientific Reports"
DOI: 10.1038/s41598-024-84323-1
Abstract: Omics data provide a plethora of quantifiable information that can potentially be used to identify biomarkers targeting the physiological processes and ecological phenomena of organisms. However, omics data have not been fully utilized because current…
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Keywords:
prediction method;
prediction;
omics data;
quantitative prediction ... See more keywords
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Published in 2017 at "Analytical Methods"
DOI: 10.1039/c7ay02021j
Abstract: Lotus has been widely cultivated and consumed in Asia, Oceania and America, and it is not only used as an ornamental plant but also as a dietary staple. In this work, fingerprinting techniques based on…
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Keywords:
lotus seed;
hplc;
seed;
quantitative prediction ... See more keywords
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1
Published in 2022 at "PLoS Computational Biology"
DOI: 10.1101/2022.03.21.485081
Abstract: Intrinsically disordered proteins (IDPs) are highly dynamic systems that play an important role in cell signaling processes and their misfunction often causes human disease. Proper understanding of IDP function not only requires the realistic characterization…
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Keywords:
contact propensities;
intrinsically disordered;
disordered proteins;
quantitative prediction ... See more keywords
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Published in 2025 at "Frontiers in Computational Neuroscience"
DOI: 10.3389/fncom.2025.1515194
Abstract: Fitting models to experimental intracellular data is challenging. While detailed conductance-based models are difficult to train, phenomenological statistical models often fail to capture the rich intrinsic dynamics of circuits such as central pattern generators (CPGs).…
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Keywords:
circuit;
neural circuit;
intracellular dynamics;
data driven ... See more keywords
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Published in 2024 at "Applied Sciences"
DOI: 10.3390/app14166906
Abstract: The degree and amount of sand production in hydrate reservoirs is related to the selection of stable production processes, but there is currently a lack of quantitative sand production prediction research using real logging data…
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Keywords:
sand production;
sand;
hydrate reservoirs;
quantitative prediction ... See more keywords