Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models - researchr publication authors

researchr

You are not signed in
Sign in
Sign up

Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dong-Sheng Cao, Jian Wu, Tingjun Hou. Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models. J. Cheminformatics, 13(1):12, 2021. [doi]

This author has not been identified. Look up 'Dejun Jiang' in GoogleThis author has not been identified. Look up 'Zhenxing Wu' in GoogleThis author has not been identified. Look up 'Chang-Yu Hsieh' in GoogleThis author has not been identified. Look up 'Guangyong Chen' in GoogleThis author has not been identified. Look up 'Ben Liao' in GoogleThis author has not been identified. Look up 'Zhe Wang' in GoogleThis author has not been identified. Look up 'Chao Shen' in GoogleThis author has not been identified. Look up 'Dong-Sheng Cao' in GoogleThis author has not been identified. Look up 'Jian Wu' in GoogleThis author has not been identified. Look up 'Tingjun Hou' in Google

runs on WebDSL