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Theoretical and Computational Chemistry

Working Paper

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

Gaurav Vishwakarma, Mojtaba Haghighatlari, Johannes Hachmann

Version 1 posted 09 September 2019

959

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5

Citations

Biological and Medicinal Chemistry

Working Paper

Shotgun Drug Repurposing Biotechnology to Tackle Epidemics and Pandemics

William Mangione, Zackary Falls, Thomas Melendy, Gaurav Chopra, Ram Samudrala

Version 2 posted 04 May 2020

1,022

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Materials Science

Working Paper

pH Responsive in Vitro Cargo Release of PEG Coated MSNs Is Governed by Buffer Composition

Nidhi Sapre, Gaurav Das, Sneha Bajpe

Version 1 posted 26 May 2020

432

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Energy

Working Paper

Ultra-Rapid Uptake and Highly Stable Storage of Methane as Combustible Ice

Marcus N. Goh, Gaurav Bhattacharjee, Sonia E.K. Arumuganainar, Praveen Linga

Version 1 posted 29 July 2020

411

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Theoretical and Computational Chemistry

Working Paper

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines Towards Fast Multicomponent Reactions

Krupal P. Jethava, Jonathan A Fine, Yingqi Chen, Ahad Hossain, Gaurav Chopra

Version 1 posted 13 April 2020

766

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1

Citations

Biological and Medicinal Chemistry

Working Paper

CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

Jonathan Fine, Janez Konc, Ram Samudralal, Gaurav Chopra

Version 1 posted 15 October 2018

588

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Old Arsenal to Combat New Enemy: Repurposing of Commercially Available FDA Approved Drugs Against Main Protease of SARS-CoV2.

Gagandeep Singh, vishal srivastava, Ritpratik Mishra, Gaurav Goel, Tapan Chaudhuri

Version 1 posted 05 October 2020

569

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1

Citations

Analytical Chemistry

Working Paper

Solid Phase Excitation-Emission Matrix Spectroscopy for In-Situ Chemical Analysis of Combustion Aerosols

Gaurav Mahamuni, Jiayang He, Jay Rutherford, Byron Ockerman, Edmund Seto, Gregory V. Korshin, Igor V. Novosselov

Version 1 posted 22 April 2020

307

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Analytical Chemistry

Working Paper

Graph Based Machine Learning Interprets Diagnostic Isomer-Selective Ion-Molecule Reactions in Tandem Mass Spectrometry

Jonathan A Fine, Judy Kuan-Yu Liu, Armen Beck, Kawthar Alzarieni, Xin Ma, Victoria Boulos, Hilkka Kenttämaa, Gaurav Chopra

Version 1 posted 31 December 2019

595

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Catalysis

Working Paper

On the Acid Sites of Phosphorous Modified Zeosils

Gaurav Kumar, Limin Ren, Yutong Pang, Xinyu Li, Han Chen, Jason Gulbinski, Paul Dauenhauer, Michael Tsapatsis, Omar Abdelrahman

Version 2 posted 26 March 2021

646

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Refine Search

70 results in Gaurav Gaurav in Authors: Gaurav Gaurav

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

Shotgun Drug Repurposing Biotechnology to Tackle Epidemics and Pandemics

pH Responsive in Vitro Cargo Release of PEG Coated MSNs Is Governed by Buffer Composition

Ultra-Rapid Uptake and Highly Stable Storage of Methane as Combustible Ice

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines Towards Fast Multicomponent Reactions

CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

Old Arsenal to Combat New Enemy: Repurposing of Commercially Available FDA Approved Drugs Against Main Protease of SARS-CoV2.

Solid Phase Excitation-Emission Matrix Spectroscopy for In-Situ Chemical Analysis of Combustion Aerosols

Graph Based Machine Learning Interprets Diagnostic Isomer-Selective Ion-Molecule Reactions in Tandem Mass Spectrometry

On the Acid Sites of Phosphorous Modified Zeosils

70 results in Authors: Gaurav Gaurav