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Journal of Chemical Information and Modeling
|
April 8, 2025
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
Yu Shee, Anton Morgunov, Haote Li, et al.
Journal of Chemical Theory and Computation
|
February 3, 2026
QO-BRA: A Quantum Operator-Based Autoencoder for De Novo Molecular Design
Yue Yu, Francesco Calcagno, Haote Li, et al.
Journal of the American Chemical Society
|
September 25, 2024
Rapid Quantification of Protein Secondary Structure Composition from a Single Unassigned 1D <sup>13</sup>C Nuclear Magnetic Resonance Spectrum
Haote Li, Marcus D Tuttle, Kurt W Zilm, et al.
PNAS Nexus
|
May 1, 2024
Kernel-elastic autoencoder for molecular design
Haote Li, Yu Shee, Brandon Allen, et al.
Biorxiv : the Preprint Server for Biology
|
April 27, 2026
Crystal structure and molecular dynamics simulations of rademikibart Fab-IL-4Rα complex reveal biochemical basis for next-generation potent IL-4Rα inhibition in type 2 allergic and inflammatory diseases
Yuanjun Shi, Kelsey Nolden, Minh Ho, et al.
The Journal of Organic Chemistry
|
October 10, 2025
EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions
Abbigayle E Cuomo, John-Paul Webster, H Ray Kelly, et al.
Journal of Chemical Theory and Computation
|
March 3, 2025
Simulating Electronic Structure on Bosonic Quantum Computers
Rishab Dutta, Nam P Vu, Chuzhi Xu, et al.
ACS Central Science
|
October 2, 2023
Feed-Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction
Abbigayle E Cuomo, Sebastian Ibarraran, Sanil Sreekumar, et al.
Nature Communications
|
September 9, 2024
Site-specific template generative approach for retrosynthetic planning
Yu Shee, Haote Li, Pengpeng Zhang, et al.
Nature
|
January 19, 2026
Collective intelligence for AI-assisted chemical synthesis
Haote Li, Sumon Sarkar, Wenxin Lu, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
April 8, 2025
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
Yu Shee, Anton Morgunov, Haote Li, et al.
Journal of Chemical Theory and Computation
|
February 3, 2026
QO-BRA: A Quantum Operator-Based Autoencoder for De Novo Molecular Design
Yue Yu, Francesco Calcagno, Haote Li, et al.
Journal of the American Chemical Society
|
September 25, 2024
Rapid Quantification of Protein Secondary Structure Composition from a Single Unassigned 1D <sup>13</sup>C Nuclear Magnetic Resonance Spectrum
Haote Li, Marcus D Tuttle, Kurt W Zilm, et al.
PNAS Nexus
|
May 1, 2024
Kernel-elastic autoencoder for molecular design
Haote Li, Yu Shee, Brandon Allen, et al.
Biorxiv : the Preprint Server for Biology
|
April 27, 2026
Crystal structure and molecular dynamics simulations of rademikibart Fab-IL-4Rα complex reveal biochemical basis for next-generation potent IL-4Rα inhibition in type 2 allergic and inflammatory diseases
Yuanjun Shi, Kelsey Nolden, Minh Ho, et al.
The Journal of Organic Chemistry
|
October 10, 2025
EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions
Abbigayle E Cuomo, John-Paul Webster, H Ray Kelly, et al.
Journal of Chemical Theory and Computation
|
March 3, 2025
Simulating Electronic Structure on Bosonic Quantum Computers
Rishab Dutta, Nam P Vu, Chuzhi Xu, et al.
ACS Central Science
|
October 2, 2023
Feed-Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction
Abbigayle E Cuomo, Sebastian Ibarraran, Sanil Sreekumar, et al.
Nature Communications
|
September 9, 2024
Site-specific template generative approach for retrosynthetic planning
Yu Shee, Haote Li, Pengpeng Zhang, et al.
Nature
|
January 19, 2026
Collective intelligence for AI-assisted chemical synthesis
Haote Li, Sumon Sarkar, Wenxin Lu, et al.
Page
of 1