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Andrea Nikolic

2 results in Authors: Andrea Nikolic

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

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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

794

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