Hailong Wu

Dr. Hailong Wu

State Key Laboratory of Chemo/Biosensing & Chemometrics, College of Chemistry and Chemical Engineering Hunan University, Changsha 410082, China

Research Focus & Metrics

Academic Career Length

27Years (2000-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
1 February 2005 in Journal of Chemometrics
Verified
Journal Article
Closed access
PDF file
AXA‐Lin Xia
A‐Lin Xia
Hailong WuHailong Wu
Hailong Wu
DFDong‐Mei Fang
Dong‐Mei Fang
YDYu‐Jie Ding
Yu‐Jie Ding
LHLe‐Qian Hu
Le‐Qian Hu
RYRu‐Qin Yu
Ru‐Qin Yu

1 September 2019 in Food Chemistry
Verified
Journal Article
Closed access
TWTong Wang
Tong Wang
Hailong WuHailong Wu
Hailong Wu
WLWan-Jun Long
Wan-Jun Long
YHYong Hu
Yong Hu
LCLi Cheng
Li Cheng
RYRu-Qin Yu
Ru-Qin Yu

1 September 2009 in Analytica Chimica Acta
Verified
Journal Article
Closed access
Hailong WuHailong Wu
Hailong Wu
JNJin-Fang Nie
Jin-Fang Nie
YYYong-Jie Yu
Yong-Jie Yu
RYRu-Qin Yu
Ru-Qin Yu

22 November 2013 in Journal of Chemometrics
Verified
Journal Article
Closed access
PDF file
Hailong WuHailong Wu
Hailong Wu
YLYong Li
Yong Li
RYRu‐Qin Yu
Ru‐Qin Yu

9 July 2022 in Talanta
Verified
Journal Article
Closed access
ACAn-Qi Chen
An-Qi Chen
Hailong WuHailong Wu
Hailong Wu
Tong WangTong Wang
Tong Wang
XWXiao-Zhi Wang
Xiao-Zhi Wang
HSHai-Bo Sun
Hai-Bo Sun
RYRu-Qin Yu
Ru-Qin Yu

11 June 2024 in Nature Communications
Verified
Journal Article
Open access
PDF file
JWJuan-Ni Wu
Juan-Ni Wu
TWTong Wang
Tong Wang
YCYue Chen
Yue Chen
LTLi-Juan Tang
Li-Juan Tang
Hailong WuHailong Wu
Hailong Wu
RYRu-Qin Yu
Ru-Qin Yu
Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES (tree-based SMILES) with three code algorithms: TSSA (t-SMILES with shared atom), TSDY (t-SMILES with dummy atom but without ID) and TSID (t-SMILES with ID and dummy atom). It describes molecules using SMILES-type strings obtained by performing a breadth-first search on a full binary tree formed from a fragmented molecular graph. Systematic evaluations using JTVAE, BRICS, MMPA, and Scaffold show the feasibility of constructing a multi-code molecular description system, where various descriptions complement each other, enhancing the overall performance. In addition, it can avoid overfitting and achieve higher novelty scores while maintaining reasonable similarity on labeled low-resource datasets, regardless of whether the model is original, data-augmented, or pre-trained then fine-tuned. Furthermore, it significantly outperforms classical SMILES, DeepSMILES, SELFIES and baseline models in goal-directed tasks. And it surpasses state-of-the-art fragment, graph and SMILES based approaches on ChEMBL, Zinc, and QM9.