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RESEARCH PAPER · Journal of Chemical Information and Modeling · 2018

Redesigning the Materials and Catalysts Database Construction Process Using Ontologies

Lauren Takahashi, Itsuki Miyazato, KEISUKE G. TAKAHASHI

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33 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

Redesigning the Materials and Catalysts Database Construction Process Using OntologiesOriginalThe Rise of Catalyst Informatics: Towards Catalyst Genomics103Mechanism of oxide-catalyzed selective oxidation: A computational perspective9MatCALO: Knowledge-enabled machine learning in materials science35Machine Learning for Computational Heterogeneous Catalysis356Visualizing Scientists’ Cognitive Representation of Materials Data through the Application of Ontology26What Researchers are Currently Saying about Ontologies: A Review of Recent Web of Science Articles13Property-Oriented Material Design Based on a Data-Driven Machine Learning Technique89An Ontology to Describe Small Molecule Pharmaceutical Product Development and Methodology for Optimal Activity Scheduling3Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning88A Unified Research Data Infrastructure for Catalysis Research – Challenges and Concepts79An Ontology-Based Approach to Enable Data-Driven Research in the Field of NDT in Civil Engineering15Integration of data-intensive, machine learning and robotic experimental approaches for accelerated discovery of catalysts in renewable energy-related reactions28The Rise of Catalysts Informatics1Data in Materials and Catalysts Informatics4Material database for the mechanical design of components made of powder metallurgy material0Material database for the mechanical design of components made of powder metallurgy material0Tuning OER Electrocatalysts toward LOM Pathway through the Lens of Multi-Descriptor Feature Selection by Artificial Intelligence-Based Approach51Catalysts informatics: paradigm shift towards data-driven catalyst design61Data-driven design of electrocatalysts: principle, progress, and perspective46Materials Within a Digitalized Production Environment1Toward the Golden Age of Materials Informatics: Perspective and Opportunities23Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use37Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use6Standardizing chemical compounds with language models4Material database for the mechanical design of components made of powder metallurgy material0Materials Within a Digitalized Production Environment1“Quantum-Chemoinformatics” for Design and Discovery of New Molecules and Reactions3Material informatics-driven insights into brain cancer nanocarriers: A bibliometric comparison of PLGA vs. liposomes4AI and automation: democratizing automation and the evolution towards true AI-autonomous robotics11Development of LLM-assisted data curation tools for the Starrydata materials science database2Accelerating catalytic advancements through the precision of high-throughput experiments & calculations4From Data to Discovery: Challenges and Solutions in AI-Driven Materials Science0Machine Learning-Guided Prediction of Low-Barrier N 2 and CO 2 Activation for Catalyst Design0

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33 direct citing papers saved.

  1. The Rise of Catalyst Informatics: Towards Catalyst Genomics

    ChemCatChem · 2018-12-18

    KEISUKE G. TAKAHASHI, Lauren Takahashi, Itsuki Miyazato, Jun Fujima, Yuzuru Tanaka, Takeaki Uno, Hiroko Satoh, Koichi Ohno, Mayumi Nishida, Kenji Hirai, Junya Ohyama, Thanh Nhat Nguyen, Shun Nishimura, Toshiaki Taniike

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  2. Mechanism of oxide-catalyzed selective oxidation: A computational perspective

    Annual reports in computational chemistry · 2019-01-01

    Shenggang Li, David A. Dixon

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  3. MatCALO: Knowledge-enabled machine learning in materials science

    Computational Materials Science · 2019-03-16

    Mareike Picklum, Michael Beetz

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  4. Machine Learning for Computational Heterogeneous Catalysis

    ChemCatChem · 2019-05-15

    Philomena Schlexer, Kirsten T. Winther, José Antonio Garrido Torres, Verena Streibel, Meng Zhao, Michal Bajdich, Frank Abild‐Pedersen, Thomas Bligaard

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  5. Visualizing Scientists’ Cognitive Representation of Materials Data through the Application of Ontology

    The Journal of Physical Chemistry Letters · 2019-11-15

    Lauren Takahashi, KEISUKE G. TAKAHASHI

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  6. What Researchers are Currently Saying about Ontologies: A Review of Recent Web of Science Articles

    KNOWLEDGE ORGANIZATION · 2020-01-01

    Luís Miguel Oliveira Machado, Maurício Barcellos Almeida, Renato Rocha Souza

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  7. Property-Oriented Material Design Based on a Data-Driven Machine Learning Technique

    The Journal of Physical Chemistry Letters · 2020-04-24

    Qionghua Zhou, Shuaihua Lu, Yilei Wu, Jinlan Wang

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  8. An Ontology to Describe Small Molecule Pharmaceutical Product Development and Methodology for Optimal Activity Scheduling

    Journal of Pharmaceutical Innovation · 2020-10-08

    Shekhar Krishna Viswanath, Steve Guntz, Jon A. Dieringer, Shankarraman Vaidyaraman, Wang Hua, Chrysanthos E. Gounaris

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  9. Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

    Trends in Chemistry · 2021-01-14

    Gabe Gomes, Robert Pollice, Alán Aspuru‐Guzik

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  10. A Unified Research Data Infrastructure for Catalysis Research – Challenges and Concepts

    ChemCatChem · 2021-03-10

    Christoph Wulf, Matthias Beller, Thomas Boenisch, Olaf Deutschmann, Schirin Hanf, Norbert Kockmann, Ralph Kraehnert, Mehtap Oezaslan, Stefan Palkovits, Sonja Schimmler, Stephan A. Schunk, Kurt Wagemann, David Linke

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  11. An Ontology-Based Approach to Enable Data-Driven Research in the Field of NDT in Civil Engineering

    Remote Sensing · 2021-06-21

    Benjamí Moreno Torres, Christoph Völker, Sarah Mandy Nagel, Thomas Hanke, Sabine Kruschwitz

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  12. Integration of data-intensive, machine learning and robotic experimental approaches for accelerated discovery of catalysts in renewable energy-related reactions

    Materials Reports Energy · 2021-07-05

    Oyawale Adetunji Moses, Wei Chen, Mukhtar Lawan Adam, Zhuo Wang, Kaili Liu, Junming Shao, Zhengsheng Li, Wentao Li, Chensu Wang, Haitao Zhao, Cheng Heng Pang, Zongyou Yin, Xue‐Feng Yu

    Read original paper ↗ ·

  13. The Rise of Catalysts Informatics

    Springer eBooks · 2022-01-01

    KEISUKE G. TAKAHASHI, Lauren Takahashi, Shun Nishimura, Jun Fujima, Junya Ohyama

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  14. Data in Materials and Catalysts Informatics

    ACS symposium series · 2022-06-14

    KEISUKE G. TAKAHASHI, Lauren Takahashi

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  15. Material database for the mechanical design of components made of powder metallurgy material

    Unknown journal · 2022-08-17

    Jiacheng Miao, Luhe Zhang, Zeying Li, Bingkui Chen

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  16. Material database for the mechanical design of components made of powder metallurgy material

    Unknown journal · 2022-08-29

    Jiacheng Miao, Luhe Zhang, Zeying Li, Bingkui Chen

    Read original paper ↗ ·

  17. Tuning OER Electrocatalysts toward LOM Pathway through the Lens of Multi-Descriptor Feature Selection by Artificial Intelligence-Based Approach

    ACS Materials Letters · 2022-12-27

    Haruna Adamu, Sani Isah Abba, Paul Betiang Anyin, Yusuf Sani, Zain Hassan Yamani, Mohammad Qamar

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  18. Catalysts informatics: paradigm shift towards data-driven catalyst design

    Chemical Communications · 2023-01-01

    KEISUKE G. TAKAHASHI, Junya Ohyama, Shun Nishimura, Jun Fujima, Lauren Takahashi, Takeaki Uno, Toshiaki Taniike

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  19. Data-driven design of electrocatalysts: principle, progress, and perspective

    Journal of Materials Chemistry A · 2023-01-01

    Shan Zhu, Kezhu Jiang, Biao Chen, Shijian Zheng

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  20. Materials Within a Digitalized Production Environment

    Interdisciplinary excellence accelerator series · 2023-01-01

    Christoph Broeckmann, Andreas Bührig–Polaczek, Bengt Hallstedt, Ulrich Krupp, Ali Rajaei, Michael Rom, Maximilian Rudack, Georg J. Schmitz, Sebastian Wesselmecking

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  21. Toward the Golden Age of Materials Informatics: Perspective and Opportunities

    The Journal of Physical Chemistry Letters · 2023-05-12

    KEISUKE G. TAKAHASHI, Lauren Takahashi

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  22. Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use

    Angewandte Chemie International Edition · 2023-05-31

    Clara Patricia Marshall, Julia Schumann, Annette Trunschke

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  23. Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use

    Angewandte Chemie · 2023-05-31

    Clara Patricia Marshall, Julia Schumann, Annette Trunschke

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  24. Standardizing chemical compounds with language models

    Machine Learning Science and Technology · 2023-07-18

    Miruna T. Cretu, Alessandra Toniato, Amol Thakkar, Amin Debabeche, Teodoro Laino, Alain C. Vaucher

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  25. Material database for the mechanical design of components made of powder metallurgy material

    Unknown journal · 2023-12-12

    Jiacheng Miao, Luhe Zhang, Zeying Li, Bingkui Chen

    Read original paper ↗ ·

  26. Materials Within a Digitalized Production Environment

    Interdisciplinary excellence accelerator series · 2023-12-29

    Christoph Broeckmann, Andreas Bührig–Polaczek, Bengt Hallstedt, Ulrich Krupp, Ali Rajaei, Michael Rom, Maximilian Rudack, Georg J. Schmitz, Sebastian Wesselmecking

    Read original paper ↗ ·

  27. “Quantum-Chemoinformatics” for Design and Discovery of New Molecules and Reactions

    Springer eBooks · 2024-01-01

    Hiroko Satoh, Vincenz-Maria Steiner, Jürg Hutter

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  28. Material informatics-driven insights into brain cancer nanocarriers: A bibliometric comparison of PLGA vs. liposomes

    OpenNano · 2024-12-11

    Brilly Andro Makalew, Syauqi Abdurrahman Abrori

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  29. AI and automation: democratizing automation and the evolution towards true AI-autonomous robotics

    Chemical Science · 2025-01-01

    Lauren Takahashi, Micke Kuwahara, KEISUKE G. TAKAHASHI

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  30. Development of LLM-assisted data curation tools for the Starrydata materials science database

    Science and Technology of Advanced Materials Methods · 2025-11-20

    Yukari Katsura, Tomoya MATO, Yu Takada, Eiji Koyama, Dewi Yana, Atsumi Tanaka, Masaya Kumagai

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  31. Accelerating catalytic advancements through the precision of high-throughput experiments & calculations

    Digital Discovery · 2026-01-01

    Jenny G. Vitillo, Alán Aspuru‐Guzik, Eric J. Doskocil, Omar K. Farha, Timur İslamoğlu, Heather J. Kulik, Peter M. Margl, Stuart Miller, Jordan C. T. Reddel, Aayush R. Singh, Varinia Bernales

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  32. From Data to Discovery: Challenges and Solutions in AI-Driven Materials Science

    Journal of the Physical Society of Japan · 2026-03-25

    Hieu‐Chi Dam, Hiori Kino, Takashi Miyake

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  33. Machine Learning-Guided Prediction of Low-Barrier N 2 and CO 2 Activation for Catalyst Design

    ACS Applied Energy Materials · 2026-06-25

    Balaraman Vedhanarayanan, Abhinav S. Raman, K. C. Seetha Lakshmi

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