An integrated approach with new strategies for QSAR models and lead optimization

por Hsu, Hui-Hui, Hsu, Yen-Chao, Chang, Li-Jen, Yang, Jinn-Moon
Publicado 2017

Exploring kinase family inhibitors and their moiety preferences using deep SHapley additive exPlanations

por Fan, You-Wei, Liu, Wan-Hsin, Chen, Yun-Ti, Hsu, Yen-Chao, Pathak, Nikhil, Huang, Yu-Wei, Yang, Jinn-Moon
Publicado 2022

Identification of pan-kinase-family inhibitors using graph convolutional networks to reveal family-sensitive pre-moieties

por Lin, Xiang-Yu, Huang, Yu-Wei, Fan, You-Wei, Chen, Yun-Ti, Pathak, Nikhil, Hsu, Yen-Chao, Yang, Jinn-Moon
Publicado 2022

Discovery of moiety preference by Shapley value in protein kinase family using random forest models

por Huang, Yu-Wei, Hsu, Yen-Chao, Chuang, Yi-Hsuan, Chen, Yun-Ti, Lin, Xiang-Yu, Fan, You-Wei, Pathak, Nikhil, Yang, Jinn-Moon
Publicado 2022

Methotrexate inhibition of SARS-CoV-2 entry, infection and inflammation revealed by bioinformatics approach and a hamster model

por Chen, Yun-Ti, Chang, Yu-Hsiu, Pathak, Nikhil, Tzou, Shey-Cherng, Luo, Yong-Chun, Hsu, Yen-Chao, Li, Tian-Neng, Lee, Jung-Yu, Chen, Yi-Cyun, Huang, Yu-Wei, Yang, Hsin-Ju, Hsu, Nung-Yu, Tsai, Hui-Ping, Chang, Tein-Yao, Hsu, Shu-Chen, Liu, Ping-Cheng, Chin, Yuan-Fan, Lin, Wen-Chin, Yang, Chuen-Mi, Wu, Hsueh-Ling, Lee, Chia-Ying, Hsu, Hui-Ling, Liu, Yi-Chun, Chu, Jhih-Wei, Wang, Lily Hui-Ching, Wang, Jann-Yuan, Huang, Chih-Heng, Lin, Chi-Hung, Hsieh, Po-Shiuan, Wu Lee, Yan-Hwa, Hung, Yi-Jen, Yang, Jinn-Moon
Publicado 2022