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6 results in Authors: Victor Batista

Physical Chemistry

Atmospheric β-Caryophyllene-Derived Ozonolysis Products at Interfaces

Ariana Gray Bé, Hilary M. Chase, Liu, Yangdongliu, Mary Alice Upshur, Zhang, Yue, Aashish Tuladhar, Zizwe A. Chase, Aleia D. Bellcross, Wang, Zheming, Wang, Hong-fei, Victor Batista, Martin, Scot, Regan J. Thomson, Franz Geiger

Version 1 posted 19 October 2018

743

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Enhanced Ligand Discovery through Generative AI and Latent-Space Exploration: Application to the Mizoroki-Heck Reaction

Wenxin Lu, Haote Li, Jan Paul Menzel, Abbigayle E. Cuomo, Andrea M. Nikolic, H. Ray Kelly, Yu Shee, Sanil Sreekumar, Frederic Buono, Jinhua J. Song, Robert H. Crabtree, Victor S. Batista, Timothy R. Newhouse

Version 1 posted 01 March 2024

479

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Feed Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction

Abbigayle Cuomo, Sebastian Ibarraran, Sanil Sreekumar, Haote Li, Jungmin Eun, Jan Paul Menzel, Pengpeng Zhang, Frederic Buono, Jeff Song, Robert Crabtree, Victor Batista, Timothy Newhouse

Version 1 posted 31 January 2023

341

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Theoretical and Computational Chemistry

GiFE: A Molecular-Size Agnostic and Understandable Gibbs Free Energy Function

Jessica Freeze, Victor Batista

Version 1 posted 10 May 2023

101

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Biological and Medicinal Chemistry

Mechanism of Action of KL-50, a Novel Imidazotetrazine for the Treatment of Drug-Resistant Brain Cancers

Eric Huseman, Anna Lo, Olga Fedorova, James Elia, Susan Gueble, Kingson Lin, Ranjini Sundaram, Danielle Burgenske, Joonseok Oh, Jinchan Liu, Fabian Menges, Matthew Rees, Melissa Ronan, Jennifer Roth, Victor Batista, Jason Crawford, Jann Sarkaria, Anna Pyle, Ranjit Bindra, Seth Herzon

Version 1 posted 13 June 2023

479

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Theoretical and Computational Chemistry

Site-Specific Template Generative Approach for Retrosynthetic Planning

Yu Shee, Haote Li, Pengpeng Zhang, Andrea Nikolic, Sanil Sreekumar, Frédéric Buono, Jinhua Song, Timothy Newhouse, Victor Batista

Version 1 posted 25 April 2024

83

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