Search research articles
Contact Us
Filters
Showing results (1-10 of 35) with videos related to
Page
of 4
Sort By:
Journal of Cheminformatics
|
February 4, 2023
Explainable uncertainty quantifications for deep learning-based molecular property prediction
Chu-I Yang, Yi-Pei Li
Journal of Cheminformatics
|
January 24, 2024
Enhancing chemical synthesis: a two-stage deep neural network for predicting feasible reaction conditions
Lung-Yi Chen, Yi-Pei Li
Nature Communications
|
April 5, 2025
Uncertainty quantification with graph neural networks for efficient molecular design
Lung-Yi Chen, Yi-Pei Li
Beilstein Journal of Organic Chemistry
|
October 8, 2024
Machine learning-guided strategies for reaction conditions design and optimization
Lung-Yi Chen, Yi-Pei Li
Journal of Cheminformatics
|
June 27, 2024
AutoTemplate: enhancing chemical reaction datasets for machine learning applications in organic chemistry
Lung-Yi Chen, Yi-Pei Li
Journal of Chemical Theory and Computation
|
November 28, 2023
Integrating Chemical Information into Reinforcement Learning for Enhanced Molecular Geometry Optimization
Yu-Cheng Chang, Yi-Pei Li
Journal of Chemical Theory and Computation
|
January 20, 2021
Learning to Optimize Molecular Geometries Using Reinforcement Learning
Kabir Ahuja, William H Green, Yi-Pei Li
Journal of Chemical Information and Modeling
|
January 25, 2025
Enhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks
Han-Chung Chang, Ming-Hsuan Tsai, Yi-Pei Li
The Journal of Physical Chemistry. A
|
June 28, 2019
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach
Colin A Grambow, Yi-Pei Li, William H Green
Journal of Chemical Theory and Computation
|
October 21, 2022
Comparative Analysis of Uncoupled Mode Approximations for Molecular Thermochemistry and Kinetics
Shih-Cheng Li, Yen-Chun Lin, Yi-Pei Li
Page
of 4
Search research articles
Search
Showing results (1-10 of 35) with videos related to
Sort By:
Page
of 4
Journal of Cheminformatics
|
February 4, 2023
Explainable uncertainty quantifications for deep learning-based molecular property prediction
Chu-I Yang, Yi-Pei Li
Journal of Cheminformatics
|
January 24, 2024
Enhancing chemical synthesis: a two-stage deep neural network for predicting feasible reaction conditions
Lung-Yi Chen, Yi-Pei Li
Nature Communications
|
April 5, 2025
Uncertainty quantification with graph neural networks for efficient molecular design
Lung-Yi Chen, Yi-Pei Li
Beilstein Journal of Organic Chemistry
|
October 8, 2024
Machine learning-guided strategies for reaction conditions design and optimization
Lung-Yi Chen, Yi-Pei Li
Journal of Cheminformatics
|
June 27, 2024
AutoTemplate: enhancing chemical reaction datasets for machine learning applications in organic chemistry
Lung-Yi Chen, Yi-Pei Li
Journal of Chemical Theory and Computation
|
November 28, 2023
Integrating Chemical Information into Reinforcement Learning for Enhanced Molecular Geometry Optimization
Yu-Cheng Chang, Yi-Pei Li
Journal of Chemical Theory and Computation
|
January 20, 2021
Learning to Optimize Molecular Geometries Using Reinforcement Learning
Kabir Ahuja, William H Green, Yi-Pei Li
Journal of Chemical Information and Modeling
|
January 25, 2025
Enhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks
Han-Chung Chang, Ming-Hsuan Tsai, Yi-Pei Li
The Journal of Physical Chemistry. A
|
June 28, 2019
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach
Colin A Grambow, Yi-Pei Li, William H Green
Journal of Chemical Theory and Computation
|
October 21, 2022
Comparative Analysis of Uncoupled Mode Approximations for Molecular Thermochemistry and Kinetics
Shih-Cheng Li, Yen-Chun Lin, Yi-Pei Li
Page
of 4