Enhancing Molecular Shape Comparison by Weighted Gaussian Functions. - Xin Yan 006; Jiabo Li; Zhihong Liu; Minghao Zheng; Hu Ge; Jun Xu 017 (J. Chem. Inf. Model., 2013)

ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability. - Zhihong Liu; Minghao Zheng; Xin Yan 006; Qiong Gu; Johann Gasteiger; Johan Tijhuis; Peter Maas; Jiabo Li; Jun Xu 017 (J. Comput. Aided Mol. Des., 2014)

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison. - Xin Yan 006; Jiabo Li; Qiong Gu; Jun Xu 017 (J. Comput. Chem., 2014)

ASDB: a resource for probing protein functions with small molecules. - Zhihong Liu; Peng Ding 004; Xin Yan 006; Minghao Zheng; Huihao Zhou; Yuehua Xu; Yunfei Du; Qiong Gu; Jun Xu 017 (Bioinform., 2016)

PTS: a pharmaceutical target seeker. - Peng Ding 004; Xin Yan 006; Zhihong Liu; Jiewen Du; Yunfei Du; Yutong Lu; Di Wu 001; Yuehua Xu; Huihao Zhou; Qiong Gu; Jun Xu 017 (Database J. Biol. Databases Curation, 2017)

cBinderDB: a covalent binding agent database. - Jiewen Du; Xin Yan 006; Zhihong Liu; Lu Cui; Peng Ding 004 (Bioinform., 2017)

HHVSF: A Framework to Accelerate Drug-Based High-Throughput Virtual Screening on High-Performance Computers. - Pin Chen; Xin Yan 006; Jiahui Li 008; Yunfei Du; Jun Xu 017 (SCFA, 2018)

TCMAnalyzer: A Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine. - Zhihong Liu; Jiewen Du; Xin Yan 006; Jiali Zhong; Lu Cui; Jinyuan Lin; Lizhu Zeng; Peng Ding 004; Pin Chen; Xinxin Zhou; Huihao Zhou; Qiong Gu; et al. (J. Chem. Inf. Model., 2018)

QBMG: quasi-biogenic molecule generator with deep recurrent neural network. - Shuangjia Zheng; Xin Yan 006; Qiong Gu; Yuedong Yang; Yunfei Du; Yutong Lu; Jun Xu 017 (J. Cheminformatics, 2019)

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies. - Peng Ding 004; Ziyang Chen; Hao Chen; Zizhen Zhang; Zhihong Liu; Xin Yan 006; Huihao Zhou; Qiong Gu; Chanjuan Li; Jun Xu 017 (J. Chem. Inf. Model., 2019)

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network. - Xiuming Li; Xin Yan 006; Qiong Gu; Huihao Zhou; Di Wu 001; Jun Xu 017 (J. Chem. Inf. Model., 2019)

Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism. - Shuangjia Zheng; Xin Yan 006; Yuedong Yang; Jun Xu 017 (J. Chem. Inf. Model., 2019)