Search

Theoretical and Computational Chemistry

Working Paper

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

Chee Kong Lee, Chengqiang Lu, Yue Yu, Qiming Sun, Chang-Yu Hsieh, Shengyu Zhang, Qi Liu, Liang Shi

Version 1 posted 16 November 2020

1,561

Downloads

1

Citations

Materials Chemistry

Working Paper

Highly Efficient Circularly Polarized Near-infrared Phosphorescence in Both Solution and Aggregate

Dan Liu, Wenjin Wang, Parvej Alam, Zhan Yang, Kaiwen Wu, Lixun Zhu, Yu Xiong, Shuai Chang, Yong Liu, Bo Wu, Qian Wu, Zijie Qiu, Zheng Zhao, Ben Zhong Tang

Version 1 posted 31 January 2024

435

Downloads

Theoretical and Computational Chemistry

Working Paper

3D Molecular Pocket-based Generation with Token-only Large Language Model

Jike Wang, Hao Luo, Rui Qin, Mingyang Wang, Meijing Fang, Odin Zhang, Qiaolin Gou, Qun Su, Chao Shen, Ziyi You, Xiaozhe Wan, Liwei Liu, Chang-Yu Hsieh, Tingjun Hou, Yu Kang

Version 2 posted 19 August 2024

452

Downloads

Catalysis

Working Paper

Formate-Mediated Aryl Halide Reductive Cross-Coupling Catalyzed by Iodide-Bridged Palladium(I) Dimers: Experi-mental and Computational Studies

Yoon Cho, Yu-Hsiang Chang, Zachary Strong, Kevin Quirion, Zachary Dubey, Nam Nguyen, Seoyoung Lee, Nicholas White, Peng Liu, Michael Krische

Version 1 posted 20 May 2024

316

Downloads

Organic Chemistry

Working Paper

RetroPrime: A Chemistry-Inspired and Transformer-based Method for Retrosynthesis Predictions

Xiaorui Wang, Jiezhong Qiu, Yuquan Li, Guangyong Chen, Huanxiang Liu, Ben Liao, Chang-Yu Hsieh, Xiaojun Yao

Version 2 posted 26 November 2020

1,244

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Coding Synthetic Chemistry Strategies into Bacterial Designer Cells

Yu-Chang Liu, Zhong-Liu Wu, Jan Deska

Version 1 posted 11 May 2021

293

Downloads

Catalysis

Working Paper

A Fully Biocatalytic Approach to Angiopterlactone B Based on a Chemoinspired Artificial in Vitro Metabolism

Alexander Kiefer, Yu-Chang Liu, Rebecca Gummerer, Christina Jäger, Jan Deska

Version 2 posted 23 January 2023

683

Downloads

Catalysis

Working Paper

A Bifunctional Iron-Nickel Oxygen Reduction / Oxygen Evolution Catalyst for High-Performance Rechargeable Zinc-Air Batteries

Carsten Streb, Zhengfan Chen, Weiyi Cheng, Kecheng Cao, Jin Meng, Sarra Rahali, Elnaz Ebrahimi, Soressa Abera Chala, Nana Ma, Rongji Liu, Keseven Lakshmanan, Chun-Chi Cheung, Chia-Yu Chang, Haojian Luo, Yongkang Wang, Bing Joe Hwang

Version 1 posted 27 August 2024

85

Downloads

Biological and Medicinal Chemistry

Working Paper

A two-stage MS feature dereplication strategy for natural products discovery

Ran Zhang, Beilun Wang, Chang Wang, Kaihong Huang, Zhaoguo Li, Jinling Yang, Jingyu Kuang, Lihan Ren, Mengjun Wu, Kai Zhang, Han Xie, Yu Liu, Min Wu, Yihan Wu, Fei Xu

Version 1 posted 06 June 2024

113

Downloads

Refine Search

9 results in Yu-Chang Liu in Authors: Yu-Chang Liu

Transfer Learning with Graph Neural Networks for Optoelectronic Properties of Conjugated Oligomers

Highly Efficient Circularly Polarized Near-infrared Phosphorescence in Both Solution and Aggregate

3D Molecular Pocket-based Generation with Token-only Large Language Model

Formate-Mediated Aryl Halide Reductive Cross-Coupling Catalyzed by Iodide-Bridged Palladium(I) Dimers: Experi-mental and Computational Studies

RetroPrime: A Chemistry-Inspired and Transformer-based Method for Retrosynthesis Predictions

Coding Synthetic Chemistry Strategies into Bacterial Designer Cells

A Fully Biocatalytic Approach to Angiopterlactone B Based on a Chemoinspired Artificial in Vitro Metabolism

A Bifunctional Iron-Nickel Oxygen Reduction / Oxygen Evolution Catalyst for High-Performance Rechargeable Zinc-Air Batteries

A two-stage MS feature dereplication strategy for natural products discovery

9 results in Authors: Yu-Chang Liu