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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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quantum machine learning

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5 results in Keywords: quantum machine learning

Theoretical and Computational Chemistry

Matrix of Orthogonalized Atomic Orbital Coefficients Representation for Radicals and Ions

Stiv Llenga, Ganna Gryn'ova

Version 2 posted 29 May 2023

360

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Theoretical and Computational Chemistry

Quantum Machine Learning for Drug Discovery

Kushal Batra, Kimberley M. Zorn, Daniel H. Foil, Eni Minerali, Victor O. Gawriljuk, Thomas R. Lane, sean ekins

Version 1 posted 10 August 2020

1,060

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1

Citations

Biological and Medicinal Chemistry

QPowered Compound2DeNovoDrugPropMax –A Novel Programmatic Tool Incorporating Deep Learning and In Silico Methods for Automated In Silico Bio- Activity Discovery for any Compound of Interest

Ben Geoffrey A S, Rafal Madaj, Akhil Sanker, Pavan Preetham Valluri, Ben Geoffrey

Version 3 posted 22 April 2021

1,376

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Theoretical and Computational Chemistry

Δ-Quantum machine learning for medicinal chemistry

Kenneth Atz, Clemens Isert, Markus N. A. Böcker, José Jiménez-Luna, Gisbert Schneider

Version 2 posted 20 December 2021

2,401

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2

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Theoretical and Computational Chemistry

Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

Christian Devereux, Justin Smith, Kate Davis, Kipton Barros, Roman Zubatyuk, Olexandr Isayev, Adrian Roitberg

Version 1 posted 07 February 2020

2,699

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2

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