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Sanil Sreekumar

5 results in Authors: Sanil Sreekumar

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

595

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Organic Chemistry

EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions

Abbigayle Cuomo, John-Paul Webster, H. Ray Kelly, Sumon Sarkar, Yu Shee, Sanil Sreekumar, Haote Li, Frederic Buono, Victor Batista, Timothy Newhouse

Version 1 posted 29 January 2025

502

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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

1,154

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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

415

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Organic Chemistry

Collective Intelligence of Specialized Language Models Guides Realization of de novo Chemical Synthesis

Haote Li, Sumon Sarkar, Wenxin Lu, Patrick Loftus, Tianyin Qiu, Yu Shee, Abbigayle Cuomo, John-Paul Webster, H. Ray Kelly, Vidhyadhar Manee, Sanil Sreekumar, Frederic Buono, Robert Crabtree, Timothy Newhouse, Victor Batista

Version 1 posted 31 January 2025

1,723

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