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Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Chemistry of materials, 2019-05, Vol.31 (9), p.3564-3572

2019

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Deep neural networks for accurate predictions of crystal stability

Nature communications, 2018-09, Vol.9 (1), p.3800-6, Article 3800

2018

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A Critical Review of Machine Learning of Energy Materials

Advanced energy materials, 2020-02, Vol.10 (8), p.n/a

2020

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Novel inorganic crystal structures predicted using autonomous simulation agents

Scientific data, 2022-06, Vol.9 (1), p.302-302, Article 302

2022

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Accelerating materials discovery with Bayesian optimization and graph deep learning

Materials today (Kidlington, England), 2021-12, Vol.51, p.126-135

2021

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A Universal Machine Learning Model for Elemental Grain Boundary Energies

Scripta materialia, 2022-09, Vol.218, p.114803, Article 114803

2022

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Harnessing the Materials Project for machine-learning and accelerated discovery

MRS bulletin, 2018-09, Vol.43 (9), p.664-669

2018

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Domain-Knowledge-Guided Machine Learning towards Accurate Materials Property Prediction and Materials Discovery

Ye, Weike

2021

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Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Chemistry of materials, 2019-04, Vol.31 (9)

2019

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Elucidating Structure–Composition–Property Relationships of the β-SiAlON:Eu 2+ Phosphor

Chemistry of materials, 2016-12, Vol.28 (23), p.8622-8630

2016

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Functional Reactive Polymer Electrospun Matrix

ACS applied materials & interfaces, 2016-02, Vol.8 (7), p.4934-4939

2016

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Elucidating Structure–Composition–Property Relationships of the β‑SiAlON:Eu2+ Phosphor

Chemistry of materials, 2016-12, Vol.28 (23), p.8622-8630

2016

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Palladium-catalyzed direct addition of arylboronic acids to 2-aminobenzonitrile derivatives: synthesis, biological evaluation and in silico analysis of 2-aminobenzophenones, 7-benzoyl-2-oxoindolines, and 7-benzoylindoles

Organic & biomolecular chemistry, 2014-11, Vol.12 (41), p.8204-8211

2014

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Synthesis of microcrystalline NiCo2S4 nanorods under ambient temperature and pressure for hybrid supercapacitors

Journal of materials science. Materials in electronics, 2023-12, Vol.34 (36), p.2274, Article 2274

2023

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Modular reconstruction and optimization of the trans-4-hydroxy-L-proline synthesis pathway in Escherichia coli

Microbial cell factories, 2022-08, Vol.21 (1), p.1-159, Article 159

2022

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A Fully Continuous-Flow Process for the Synthesis of p‑Cresol: Impurity Analysis and Process Optimization

Organic process research & development, 2017-10, Vol.21 (10), p.1644-1652

2017

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Study of Chemical Compositions and Anticancer Effects of Paris polyphylla var. Chinensis Leaves

Molecules (Basel, Switzerland), 2022-04, Vol.27 (9), p.2724

2022

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Alternative 3′-untranslated regions regulate high-salt tolerance of Spartina alterniflora

Plant physiology (Bethesda), 2023-04, Vol.191 (4), p.2570-2587

2023

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PSMD14 is a novel prognostic marker and therapeutic target in osteosarcoma

Diagnostic pathology, 2024-06, Vol.19 (1), p.1-8

2024

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Adenovirus-mediated gene transfer in mesenchymal stem cells can be significantly enhanced by the cationic polymer polybrene

PloS one, 2014-03, Vol.9 (3), p.e92908

2014

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DOA estimation of spectrally overlapped LFM signals based on STFT and Hough transform

EURASIP journal on advances in signal processing, 2019-12, Vol.2019 (1), p.1-10, Article 58

2019

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One-pot Multicomponent Synthesis of Highly Functionalized 1,4-Dihydropyridines Using Porcine Pancreatic Lipase

Chemical research in Chinese universities, 2019-04, Vol.35 (2), p.235-238

2019

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Super-resolution DOA estimation for correlated off-grid signals via deep estimator

系统工程与电子技术（英文版）, 2022-12, Vol.33 (6), p.1096-1107

2022

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Application of Enzymatic Promiscuity in Pharmaceutical Synthesis: Papain-catalyzed One-pot Synthesis of 1,4-Dihydropyridine Calcium Channel Antagonists and Derivatives

Chemical research in Chinese universities, 2019-02, Vol.35 (1), p.21-25

2019

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Synthesis, crystal structure, and DFT study of 4‐(2‐Chlorobenzyl)‐1‐(furan‐2‐yl)‐[1,2,4]triazolo[4,3‐a]quinazolin‐5(4H)‐one

Journal of heterocyclic chemistry, 2022-01, Vol.59 (1), p.137-143

2022

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Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Deep neural networks for accurate predictions of crystal stability

A Critical Review of Machine Learning of Energy Materials

Novel inorganic crystal structures predicted using autonomous simulation agents

Accelerating materials discovery with Bayesian optimization and graph deep learning

A Universal Machine Learning Model for Elemental Grain Boundary Energies

Harnessing the Materials Project for machine-learning and accelerated discovery

Domain-Knowledge-Guided Machine Learning towards Accurate Materials Property Prediction and Materials Discovery

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Elucidating Structure–Composition–Property Relationships of the β-SiAlON:Eu 2+ Phosphor

Functional Reactive Polymer Electrospun Matrix

Elucidating Structure–Composition–Property Relationships of the β‑SiAlON:Eu2+ Phosphor

Palladium-catalyzed direct addition of arylboronic acids to 2-aminobenzonitrile derivatives: synthesis, biological evaluation and in silico analysis of 2-aminobenzophenones, 7-benzoyl-2-oxoindolines, and 7-benzoylindoles

Synthesis of microcrystalline NiCo2S4 nanorods under ambient temperature and pressure for hybrid supercapacitors

Modular reconstruction and optimization of the trans-4-hydroxy-L-proline synthesis pathway in Escherichia coli

A Fully Continuous-Flow Process for the Synthesis of p‑Cresol: Impurity Analysis and Process Optimization

Study of Chemical Compositions and Anticancer Effects of Paris polyphylla var. Chinensis Leaves

Alternative 3′-untranslated regions regulate high-salt tolerance of Spartina alterniflora

PSMD14 is a novel prognostic marker and therapeutic target in osteosarcoma

Adenovirus-mediated gene transfer in mesenchymal stem cells can be significantly enhanced by the cationic polymer polybrene

DOA estimation of spectrally overlapped LFM signals based on STFT and Hough transform

One-pot Multicomponent Synthesis of Highly Functionalized 1,4-Dihydropyridines Using Porcine Pancreatic Lipase

Super-resolution DOA estimation for correlated off-grid signals via deep estimator

Application of Enzymatic Promiscuity in Pharmaceutical Synthesis: Papain-catalyzed One-pot Synthesis of 1,4-Dihydropyridine Calcium Channel Antagonists and Derivatives

Synthesis, crystal structure, and DFT study of 4‐(2‐Chlorobenzyl)‐1‐(furan‐2‐yl)‐[1,2,4]triazolo[4,3‐a]quinazolin‐5(4H)‐one

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