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Olexandr Isayev

Showing results (1-10 of 92) with videos related to

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Nature|July 5, 2019
Text mining facilitates materials discoveryOlexandr Isayev
Chemical Science|March 21, 2022
Prediction of protein p<i>K</i> <sub>a</sub> with representation learningHatice Gokcan, Olexandr Isayev
Accounts of Chemical Research|March 15, 2021
Development of Multimodal Machine Learning Potentials: Toward a Physics-Aware Artificial IntelligenceTetiana Zubatiuk, Olexandr Isayev
Chemical Science|October 9, 2025
High-throughput electronic property prediction of cyclic molecules with 3D-enhanced machine learningPeikun Zheng, Olexandr Isayev
Journal of the American Chemical Society|April 13, 2023
Generative Models as an Emerging Paradigm in the Chemical SciencesDylan M Anstine, Olexandr Isayev
The Journal of Physical Chemistry. A|February 21, 2023
Machine Learning Interatomic Potentials and Long-Range PhysicsDylan M Anstine, Olexandr Isayev
Physical Chemistry Chemical Physics : PCCP|November 13, 2020
DRACON: disconnected graph neural network for atom mapping in chemical reactionsFilipp Nikitin, Olexandr Isayev, Vadim Strijov
Science Advances|July 28, 2018
Deep reinforcement learning for de novo drug designMariya Popova, Olexandr Isayev, Alexander Tropsha
Nature Computational Science|December 22, 2025
Machine learning interatomic potentials at the centennial crossroads of quantum mechanicsBhupalee Kalita, Hatice Gokcan, Olexandr Isayev
Journal of Computational Chemistry|March 7, 2007
Theoretical calculations: can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?Olexandr Isayev, Leonid Gorb, Jerzy Leszczynski
Pageof 10

Showing results (1-10 of 92) with videos related to

Sort By:
Pageof 10
Nature|July 5, 2019
Text mining facilitates materials discoveryOlexandr Isayev
Chemical Science|March 21, 2022
Prediction of protein p<i>K</i> <sub>a</sub> with representation learningHatice Gokcan, Olexandr Isayev
Accounts of Chemical Research|March 15, 2021
Development of Multimodal Machine Learning Potentials: Toward a Physics-Aware Artificial IntelligenceTetiana Zubatiuk, Olexandr Isayev
Chemical Science|October 9, 2025
High-throughput electronic property prediction of cyclic molecules with 3D-enhanced machine learningPeikun Zheng, Olexandr Isayev
Journal of the American Chemical Society|April 13, 2023
Generative Models as an Emerging Paradigm in the Chemical SciencesDylan M Anstine, Olexandr Isayev
The Journal of Physical Chemistry. A|February 21, 2023
Machine Learning Interatomic Potentials and Long-Range PhysicsDylan M Anstine, Olexandr Isayev
Physical Chemistry Chemical Physics : PCCP|November 13, 2020
DRACON: disconnected graph neural network for atom mapping in chemical reactionsFilipp Nikitin, Olexandr Isayev, Vadim Strijov
Science Advances|July 28, 2018
Deep reinforcement learning for de novo drug designMariya Popova, Olexandr Isayev, Alexander Tropsha
Nature Computational Science|December 22, 2025
Machine learning interatomic potentials at the centennial crossroads of quantum mechanicsBhupalee Kalita, Hatice Gokcan, Olexandr Isayev
Journal of Computational Chemistry|March 7, 2007
Theoretical calculations: can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?Olexandr Isayev, Leonid Gorb, Jerzy Leszczynski
Pageof 10