Dejun Jiang

Identification of active molecules against Mycobacterium tuberculosis through machine learning

Dan Li, Tingjun Hou, Xin Chai, 2021, Briefings Bioinform..

VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations

Tingjun Hou, Huiyong Sun, Peng Tao, 2021, J. Chem. Inf. Model..

Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method

Tingjun Hou, Zhenxing Wu, Chang-Yu Hsieh, 2021, Briefings Bioinform..

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

Tingjun Hou, Zhenxing Wu, Chang-Yu Hsieh, 2021, Journal of Cheminformatics.

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning

Tingjun Hou, Benben Liao, Jike Wang, 2021, Nature Machine Intelligence.