Ignacio Migliaro

4PUBLICATIONS
5CO-AUTHORS
Biologically active moleculesSemi- and unsupervised learningRadiation and matter
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Publications (4)

|Jun 08, 2026
Enzyme-Catalyzed Stereoselective C(sp<sup>3</sup>)-S Bond Formation via a Dichotomic Carbene Transfer Mechanism.

|Feb 10, 2026
ChemRefine: An Open-Source Automated and Interoperable Platform for Machine Learning and Quantum Chemistry Simulations.

Ignacio Migliaro, Markus G S Weiss, Alistair J Sterling

|Jun 28, 2024
Integrated Study on Methane Activation: Exploring Main Group Frustrated Lewis Pairs through Density Functional Theory, Machine Learning, and Machine-Learned Force Fields.

Ignacio Migliaro, Thomas R Cundari

|Sep 16, 2020
Density Functional Study of Methane Activation by Frustrated Lewis Pairs with Group 13 Trihalides and Group 15 Pentahalides and a Machine Learning Analysis of Their Barrier Heights.

Ignacio Migliaro, Thomas R Cundari

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Frequent Collaborators

2 joint publications

Thomas R Cundari

2 joint publications

Alistair J Sterling

1 joint publications

Markus G S Weiss

1 joint publications

Satyajit Roy