About
I'm a Ph.D student（2021.03.01 to present） in department of Integrative Biotechnology at Yonsei University in Republic of Korea, advised by Prof. Kyoung Tai No and Prof. YoungSoo Kim.
My research involves drug discovery, medicinal chemistry,(generative) artificial intelligence, deep learning, chemoinformatics, and bioinformatics. I focus on applying deep learning methods and computational techniques to unlock drug R&D and health computing.
Github | X(Twitter) | Google Scholar | ORCID | CSDN | 知乎 | Email
Founded the WeChat Official Accounts of DrugAI. 微信公众号 DrugAI
Background
Previously, I pursued my undergraduate degree(B.S.) in pharmacy at the XiangYa School of Pharmaceutical Sciences, Central South University, Changsha, China. I worked in pharmaceutical related companies such as Zhejiang Hisun Pharmaceutical Co., Ltd. and Changsha Duxact Biotech Co., Ltd.. After that I worked as a research assistant for in silico drug design and deep learning for drug discovery at the College of Computer Science and Electronic Engineering, Hunan University, Changsha, China.
News
2024.03.18 腾讯云 | 腾讯云开发者社区 《2023年度优质共创作者：DrugAI》
2023.02.10 腾讯云 | 腾讯云开发者社区 《2022年度优秀作者奖：DrugAI》
2022.10.21 Co-edited the first book on “artificial intelligence in drug discovery” published in Chinese. 《智能药物研发-新药研发中的人工智能》 ，编著: 宋弢，曾湘祥，王爽，王建民。
2022.10.07 Participated in the “1st Yonsei AI Workshop”
2021.04.21 “DrugAI”入选“2020年度学术公众号Top10”
Resource
List (Papers and Codes) of molecular design using Generative AI and Deep Learning
Link
List of protein(PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
Link
List of papers about Proteins Design using Deep Learning
Link
Publication
2024
- Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model (Under Review) Research Square. 2024 ResearchSquare | code
- Exploring the conformational ensembles of protein-protein complex with transformer-based generative model (Under Review) bioRxiv. 2024 bioRxiv | code
- An Image-enhanced Molecular Graph Representation Learning Framework the 33rd International Joint Conference on Artificial Intelligence. 2024 IJCAI2024 | code
- FraHMT: A fragment-oriented heterogeneous graph molecular generation model for target proteins (IF = 5.6, JCR Q1) Journal of Chemical Information and Modeling. 2024 JCIM | code
- DockingGA: Enhancing Targeted Molecule Generation using Transformer Neural Network and Genetic Algorithm with Docking Simulation (IF = 4.0, JCR Q1) Briefings in functional genomics. 2024 Brief. Funct. Genomics. | code
- A bidirectional interpretable compound-protein interaction prediction framework based on cross attention (IF = 7.7, JCR Q1) Computers in Biology and Medicine. 2024 COMPUT BIOL MED | code
- Local Scaffold Diversity-Contributed Generator for Discovering Potential NLRP3 Inhibitors (IF = 5.6, JCR Q1) Journal of Chemical Information and Modeling. 2024 JCIM | code
- Interface-aware molecular generative framework for protein-protein interaction modulators (Under Review) bioRxiv. 2023 bioRxiv | code
- iupacGPT: IUPAC-based large-scale molecular pre-trained model for property prediction and molecule generation (ChemRxiv) ChemRxiv. 2023 ChemRxiv | code
- MOASL: Predicting drug mechanism of action through similarity learning with transcriptomic signature (IF = 7.7, JCR Q1) Computers in Biology and Medicine. 2023 COMPUT BIOL MED | code
- A Multimodal Deep Learning Framework for Predicting PPI-Modulator Interactions (IF = 5.6, JCR Q1) Journal of Chemical Information and Modeling. 2023 JCIM | code
- Transformer-based molecular generative model for antiviral drug design (IF = 5.6, JCR Q1) Journal of Chemical Information and Modeling. 2023 JCIM | code
- Deep generative model for drug design from protein target sequence (IF = 8.6, JCR Q1) Journal of Cheminformatics. 2023 J Cheminform | code
- Explore drug-like space with deep generative models (IF = 4.8, JCR Q2) METHODS. 2023 Methods | code
- Application of a deep generative model produces novel and diverse functional peptides against microbial resistance (IF = 6.155, JCR Q1) Computational and Structural Biotechnology Journal. 2022 CSBJ | code
- Accurate prediction of molecular properties and drug targets using a self-supervised image representation learning framework (IF = 25.898, JCR Q1) Nature Machine Intelligence. 2022 Nat Mach Intell | code
- Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets (IF = 3.776, JCR Q2) Heliyon. 2022 Heliyon
- Molormer: a lightweight self-attention-based method focused on spatial structure of molecular graph for drug–drug interactions prediction (IF = 13.994, JCR Q1) Briefings in Bioinformatics. 2022 Brief. Bioinform. | code
- De novo molecular design with deep molecular generative models for PPI inhibitors (IF = 13.994, JCR Q1) Briefings in Bioinformatics. 2022 Brief. Bioinform. | code
- A transformer-based model to predict peptide–HLA class I binding and optimize mutated peptides for vaccine design (IF = 25.898, JCR Q1) Nature Machine Intelligence. 2022 Nat Mach Intell | code
- Geometry-Based Molecular Generation With Deep Constrained Variational Autoencoder (IF = 14.255, JCR Q1) IEEE Transactions on Neural Networks and Learning Systems. 2022 IEEE TNNLS | code
- A spatial-temporal gated attention module for molecular property prediction based on molecular geometry (IF = 13.994, JCR Q1) Briefings in Bioinformatics. 2021 Brief. Bioinform. | code
- MUFFIN: multi-scale feature fusion for drug–drug interaction prediction (IF = 6.931, JCR Q1) Bioinformatics. 2021 Bioinformatics | code
- Design and linkage optimization of ursane-thalidomide-based PROTACs and identification of their targeted-degradation properties to MDM2 protein (IF = 5.307, JCR Q1) Bioorganic Chemistry. 2021 Bioorganic Chemistry
- Pretraining model for biological sequence data (IF = 4.840, JCR Q1) Briefings in functional genomics. 2021 bifg
- VGG16-T: A Novel Deep Convolutional Neural Network with Boosting to Identify Pathological Type of Lung Cancer in Early Stage by CT Images (IF = 2.259, JCR Q3) International Journal of Computational Intelligence Systems. 2020 ijcis
2023
2022
2021
2020
Contact
E-mail: drugai@hotmail.com