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Analytical Chemistry

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Ankur Gupta

4 results in Authors: Ankur Gupta

Theoretical and Computational Chemistry

3D Dense Convolutional Neural Networks Utilizing Molecular Topological Features for Accurate Atomization Energy Predictions

Ankur Gupta, Krishnan Raghavachari

Version 1 posted 20 May 2021

426

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Theoretical and Computational Chemistry

Towards Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based Method

Ankur Gupta, Sarah Maier, Bishnu Thapa, Krishnan Raghavachari

Version 1 posted 28 November 2023

216

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Analytical Chemistry

A Switchable Sensor for Cu2+ and Zn2+ Based on Xanthene Moietymaking a Path for a Complex Molecular Encryption System Based on Color and Fluorescent Change

Amar Raj, Ankur Gupta

Version 1 posted 17 May 2021

332

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Theoretical and Computational Chemistry

Equivariant Neural Networks Utilizing Molecular Clusters for Accurate Molecular Crystal Binding Energy Predictions

Ankur Gupta, Miko Stulajter, Yusuf Shaidu, Jeffrey Neaton, Wibe de Jong

Version 1 posted 01 December 2023

234

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1

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