Search

Categories

Biological and Medicinal Chemistry

(1)

Catalysis

(2)

Organic Chemistry

(2)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Last 3 years

(4)

Last 12 months

(3)

Last 6 months

(1)

Keywords

Authors

Haote Li

4 results in Authors: Haote Li

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

794

Downloads

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

484

Downloads

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

380

Downloads

Theoretical and Computational Chemistry

Rapid Quantification of Protein Secondary Structure Composition from a Single Unassigned 1D 13C NMR Spectrum

Haote Li, Marcus Tuttle, Kurt Zilm, Victor Batista

Version 1 posted 12 June 2024

187

Downloads