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Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00434
Abstract: Atom mapping of a chemical reaction is a mapping between the atoms in the reactant molecules and the atoms in the product molecules. It encodes the underlying reaction mechanism and, as such, constitutes essential information…
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Keywords:
machine learning;
learning guided;
guided atom;
reaction ... See more keywords
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Published in 2022 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c03148
Abstract: Amyloidogenesis is a critical hallmark for many neurodegenerative diseases and drug screening; however, identifying intermediate states of protein aggregates at an earlier stage remains challenging. Herein, we developed a peptide-encapsulated droplet microlaser to monitor the…
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Keywords:
monitoring amyloidogenesis;
amyloidogenesis;
amyloidogenesis deep;
learning guided ... See more keywords
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Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c05272
Abstract: Separation of Cs/Sr is one of many coordination-chemistry-centered processes in the grand scheme of spent nuclear fuel reprocessing, a critical link for a sustainable nuclear energy industry. To deploy a crystallizing Cs/Sr separation technology, we…
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Keywords:
coordination;
machine learning;
learning guided;
separation ... See more keywords
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Published in 2022 at "ACS Synthetic Biology"
DOI: 10.1021/acssynbio.2c00015
Abstract: Optimisation of gene expression levels is an essential part of the organism design process. Fine control of this process can be achieved through engineering transcription and translation control elements, including the ribosome binding site (RBS).…
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Keywords:
machine learning;
ribosome binding;
design;
learning guided ... See more keywords
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Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c08997
Abstract: The molecular structures synthesizable by organic chemists dictate the molecular functions they can create. The invention and development of chemical reactions are thus critical for chemists to access new and desirable functional molecules in all…
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Keywords:
electrochemical reactions;
chemistry;
machine learning;
learning guided ... See more keywords
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Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2122954119
Abstract: Significance SARS-CoV-2 continues to evolve through emerging variants, more frequently observed with higher transmissibility. Despite the wide application of vaccines and antibodies, the selection pressure on the Spike protein may lead to further evolution of…
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Keywords:
guided optimization;
deep learning;
sars cov;
learning guided ... See more keywords
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Published in 2022 at "IEEE Robotics and Automation Letters"
DOI: 10.1109/lra.2023.3236882
Abstract: Adversarial imitation learning (AIL) has become a popular alternative to supervised imitation learning that reduces the distribution shift suffered by the latter. However, AIL requires effective exploration during an online reinforcement learning phase. In this…
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Keywords:
adversarial imitation;
learning guided;
imitation learning;
exploration ... See more keywords
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Published in 2022 at "IEEE Transactions on Information Forensics and Security"
DOI: 10.1109/tifs.2022.3173728
Abstract: The operation of smart grids heavily relies on secure and accurate meter measurements provided by phasor measurement units (PMUs). Therefore, the optimal PMU placement (OPP) aiming to achieve the complete system observability of smart grids…
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Keywords:
reinforcement learning;
placement;
learning guided;
smart grids ... See more keywords
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Published in 2022 at "Applied Bionics and Biomechanics"
DOI: 10.1155/2022/7187863
Abstract: With the rapid development of web technology and the improvement of online purchasing products, the traditional classroom instructing model has been unable to bear the requirements of teachers and students. Aiming at the problems of…
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Keywords:
system;
guided simulated;
learning guided;
deep learning ... See more keywords