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RESEARCH PAPER · ChemCatChem · 2019

Data Mining the C−C Cross‐Coupling Genome

Boodsarin Sawatlon, Matthew D. Wodrich, Benjamin Meyer, Alberto Fabrizio, Clémence Corminbœuf

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

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42 direct citing works

Data Mining the C−C Cross‐Coupling GenomeOriginalMeet the Women of Catalysis5Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction51Quantum Chemistry Meets Machine Learning11Data-powered augmented volcano plots for homogeneous catalysis36Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage67Design of an Accurate Machine Learning Algorithm to Predict the Binding Energies of Several Adsorbates on Multiple Sites of Metal Surfaces36Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol39Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review440Probing Substrate Scope with Molecular Volcanoes16The Genesis of Molecular Volcano Plots121Methoxycyclization of 1,5‐Enynes by Coinage Metal Catalysts: Is Gold Always Superior?4Computational mechanistic study in organometallic catalysis: Why prediction is still a challenge35Deep dive into machine learning density functional theory for materials science and chemistry111Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes42Organopalladium Catalysis as a Proving Ground for Data-Rich Approaches to Reaction Development and Quantitative Predictions8Latent Variable Machine Learning Framework for Catalysis: General Models, Transfer Learning, and Interpretability23OM-Diff: inverse-design of organometallic catalysts with guided equivariant denoising diffusion19Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions12Machine learning-based yield prediction for transition metal-catalyzed cross-coupling reactions4AI Approaches to Homogeneous Catalysis with Transition Metal Complexes47On the use of chemical bonding descriptors in machine learning18

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21 direct citing papers saved.

  1. Meet the Women of Catalysis

    ChemCatChem · 2019-08-21

    Petra E. de Jongh, Deryn E. Fogg, Li‐Zhu Wu, Sandra González‐Gallardo

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  2. Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction

    ACS Catalysis · 2019-11-25

    Megha Anand, Jens K. Nørskov

    Read original paper ↗ ·

  3. Quantum Chemistry Meets Machine Learning

    CHIMIA International Journal for Chemistry · 2019-12-18

    Alberto Fabrizio, Benjamin Meyer, Raimón Fabregat, Clémence Corminbœuf

    Read original paper ↗ ·

  4. Data-powered augmented volcano plots for homogeneous catalysis

    Chemical Science · 2020-01-01

    Matthew D. Wodrich, Alberto Fabrizio, Benjamin Meyer, Clémence Corminbœuf

    Read original paper ↗ ·

  5. Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage

    ACS Catalysis · 2020-05-26

    Manuel Cordova, Matthew D. Wodrich, Benjamin Meyer, Boodsarin Sawatlon, Clémence Corminbœuf

    Read original paper ↗ ·

  6. Design of an Accurate Machine Learning Algorithm to Predict the Binding Energies of Several Adsorbates on Multiple Sites of Metal Surfaces

    ChemCatChem · 2020-06-03

    C. S. Praveen, Aleix Comas‐Vives

    Read original paper ↗ ·

  7. Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

    Journal of Chemical Theory and Computation · 2020-06-22

    Kevin Rossi, Veronika Jurásková, Raphaël Wischert, Laurent Garel, Clémence Corminbœuf, Michele Ceriotti

    Read original paper ↗ ·

  8. Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review

    Chemical Reviews · 2020-09-17

    Sneha A. Akhade, Nirala Singh, Oliver Y. Gutiérrez, Juan A. Lopez‐Ruiz, Huamin Wang, Jamie D. Holladay, Yue Liu, Abhijeet Karkamkar, Robert S. Weber, Asanga B. Padmaperuma, Mal‐Soon Lee, Greg A. Whyatt, Michael Elliott, Johnathan E. Holladay, Jonathan L. Male, Johannes A. Lercher, Roger J. Rousseau, Vassiliki‐Alexandra Glezakou

    Read original paper ↗ ·

  9. Probing Substrate Scope with Molecular Volcanoes

    Organic Letters · 2020-09-25

    Boodsarin Sawatlon, Matthew D. Wodrich, Clémence Corminbœuf

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  10. The Genesis of Molecular Volcano Plots

    Accounts of Chemical Research · 2021-02-11

    Matthew D. Wodrich, Boodsarin Sawatlon, Michael Busch, Clémence Corminbœuf

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  11. Methoxycyclization of 1,5‐Enynes by Coinage Metal Catalysts: Is Gold Always Superior?

    Helvetica Chimica Acta · 2021-09-15

    Matthew D. Wodrich, Clémence Corminbœuf

    Read original paper ↗ ·

  12. Computational mechanistic study in organometallic catalysis: Why prediction is still a challenge

    Wiley Interdisciplinary Reviews Computational Molecular Science · 2021-11-23

    Natalie Fey, Jason M. Lynam

    Read original paper ↗ ·

  13. Deep dive into machine learning density functional theory for materials science and chemistry

    Physical Review Materials · 2022-04-05

    Lenz Fiedler, Karan Shah, Michael Bußmann, Attila Cangi

    Read original paper ↗ ·

  14. Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes

    Nature Protocols · 2022-08-17

    Rubén Laplaza, Shubhajit Das, Matthew D. Wodrich, Clémence Corminbœuf

    Read original paper ↗ ·

  15. Organopalladium Catalysis as a Proving Ground for Data-Rich Approaches to Reaction Development and Quantitative Predictions

    ACS Catalysis · 2023-11-21

    Jingru Lu, David C. Leitch

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  16. Latent Variable Machine Learning Framework for Catalysis: General Models, Transfer Learning, and Interpretability

    JACS Au · 2023-12-19

    Gbolade O. Kayode, M. M. Montemore

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  17. OM-Diff: inverse-design of organometallic catalysts with guided equivariant denoising diffusion

    Digital Discovery · 2024-01-01

    François Cornet, Bardi Benediktsson, Bjarke Hastrup, Mikkel Nørgaard Schmidt, Arghya Bhowmik

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  18. Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions

    ACS Catalysis · 2024-06-17

    Thanapat Worakul, Rubén Laplaza, Shubhajit Das, Matthew D. Wodrich, Clémence Corminbœuf

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  19. Machine learning-based yield prediction for transition metal-catalyzed cross-coupling reactions

    Theoretical Chemistry Accounts · 2024-12-03

    C. Rajalakshmi, Vivek Vijay, Abhirami Vijayakumar, Shajila Salim, Sherin Susan Cherian, Parvathi Santhoshkumar, John B Kottooran, Ann Miriam Abraham, G. Krishnaveni, C. S. Anjanakutty, Binuja Varghese, Vibin Ipe Thomas

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  20. AI Approaches to Homogeneous Catalysis with Transition Metal Complexes

    ACS Catalysis · 2025-05-14

    Lucía Morán‐González, Arron L. Burnage, Ainara Nova, David Balcells

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  21. On the use of chemical bonding descriptors in machine learning

    Coordination Chemistry Reviews · 2025-11-25

    Michele Tomasini, Lucia Caporaso, Martí Gimferrer, Albert Poater

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