Mutation of the conserved GRG motif and decreasing activity of human RNase H2
Li L, Shen W X, Zheng J., et al. Mutation of the conserved GRG motif and decreasing activity of human RNase H2 [J]. Open Life Science., 2015, 10(1).
CV
Education
- B.S. in Life Science and Economics, National Science Talent Base Class, Northwest University, China, 2013
- M.S. in Cheminformatics, Department of Chemistry, Tsinghua University, China, 2016
- Ph.D in Bio & Cheminformatics, Department of Pharmacy, National University of Singapore, Singapore, 2022
Work experience
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Aug. 2023 - Present: QUAD Postdoctoral Fellow
- Department of Biomedical Informatics (DBMI) at HMS, Boston, USA
- Leader: Marinka Zitnik, PhD
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April 2022-Aug. 2023: Research scientist
- Department of Chemistry, NUS, Singapore
- Leader: A/Professor Wujie
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Aug.2018 - Sept. 2019: Research Fellow
- Megvii Research (Face++), Beijing, China
- Duties included: Algorithm development for data labelling
- Leader: Dr. Sun Jian
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Jun. 2017 - Aug.2018: Data Scientist
- Tsinghua Data Innovation Base (D-Lab), Institute of Data Science, Beijing, China
- Time-series data modeling and algorithm development
- Leader: Prof. Morgan C. Wang
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Aug. 2016 - Jun.2017: Data Mining Engineer(Intern)
- Ping An Technology, Shanghai, China
- Duties included: medical insurance data mining
Skills
- Statistical Analysis for Biomedical Data
- Machine Learning/Deep Learning
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Programming, Packages and Softwares
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Python/Cython
- Pandas, Sklearn, Scipy, Numpy, Numba
- Pytorch, PyTorch Geometric PyG, Tensorflow, Keras
- Matplotlib, Seaborn, Cython, Rdkit
- Linux bash/Perl
- SQL/R/MATLAB/Java
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Python/Cython
- Data Wrangling, Washing, Management, and Visulization
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Drug Discovery
- Molecular Docking/Molecular Simulation
- Pharmacophore Modelling
- Drug Design/Molecular Generation
- Virtual Screenig/Property Prediction
- PK/PD Modelling
- Safety Pharmacology
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Bioinformatics
- High-dimentional Omics Data Analysising
- Sequence Data Analysising
- Target Prediction
- Protein Structure Modelling
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Chemistry
- Medicinal Chemistry
- Reaction Analysis/Prediction
Publications
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Arctigenin inhibits STAT3 and exhibits anticancer potential in human triple-negative breast cancer therapy
Feng T. T. *, Cao W.*, Shen W X, et al. Arctigenin inhibits STAT3 and exhibits anticancer potential in human triple-negative breast cancer therapy [J]. Oncotarget, 2017, 8(1):329-344.
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Predicting Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination
Shen W X, Xiao T, Chen S, et al. Predicting the Enzymatic Hydrolysis Half‐lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination[J]. Molecular informatics, 2017, 36(11): 1600153.
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MASI: microbiota—active substance interactions database
Zeng, X., Yang, X., Fan, J., Tan, Y., Ju, L., Shen, W. X., ... & Chen, Y. Z. MASI: microbiota—active substance interactions database. Nucleic Acids Research, 2021, 49(D1), D776-D782.
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Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations
Shen W X, Zeng X, Zhu F, et al. Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations[J]. Nature Machine Intelligence, 2021, 3(4): 334-343.
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High-Content Phenotypic Screen of a Focused TCAMS Drug Library Identifies Novel Disruptors of the Malaria Parasite Calcium Dynamics
Chia, W., Gomez-Lorenzo, M. G., Castellote, I., Tong, J. X., Chandramohanadas, R., Thu Chu, T. T., Shen, W. X., ... & Tan, K. S. High-Content Phenotypic Screen of a Focused TCAMS Drug Library Identifies Novel Disruptors of the Malaria Parasite Calcium Dynamics. ACS Chemical Biology, 2021, 16(11), 2348-2372
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AggMapNet: Enhanced and Explainable Low-Sample Omics Deep Learning with Feature-Aggregated Multi-Channel Networks
Shen W X, Liu Y, Chen Y, et al. AggMapNet: Enhanced and Explainable Low-Sample Omics Deep Learning with Feature-Aggregated Multi-Channel Networks[J]. Nucleic Acids Research., 2022, 50(8): e45-e45.
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Fluorescence Analysis of Circulating Exosomes for Breast Cancer Diagnosis Using a Sensor Array and Deep Learning
Jin, Y., Du, N., Huang, Y., Shen, W. X., Tan, Y., Chen, Y. Z., ... & Tan, C. Fluorescence Analysis of Circulating Exosomes for Breast Cancer Diagnosis Using a Sensor Array and Deep Learning. ACS sensors, 2022, 7(5), 1524–1532
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Enhanced metagenomic deep learning for disease prediction and consistent signature recognition by restructured microbiome 2D representations
Shen W X, Liang S R, Jiang Y Y, et al. Enhanced metagenomic deep learning for disease prediction and consistent signature recognition by restructured microbiome 2D representations[J]. Patterns, 2023, 4(1): 100658. https://www.cell.com/patterns/fulltext/S2666-3899(22)00298-7
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Toward ordered -omics data science: Researchers on the magic of turning metagenomic chaos into image-like patterns
Shen W X, Chen Y Z. Toward ordered-omics data science: Researchers on the magic of turning metagenomic chaos into image-like patterns[J]. Patterns, 2023, 4(1): 100673.
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Deep learning of 2D-Restructured gene expression representations for improved low-sample therapeutic response prediction.
Cheng K P*, Shen W X*, Jiang Y Y, et al. Deep learning of 2D-Restructured gene expression representations for improved low-sample therapeutic response prediction[J]. Computers in Biology and Medicine, 2023, 164: 107245.
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Online triplet contrastive learning enables efficient cliff awareness in molecular activity prediction.
Wan Xiang Shen*, Chao Cui*, Xiang Cheng Shi et al. Online triplet contrastive learning enables efficient cliff awareness in molecular activity prediction, 28 June 2023, PREPRINT (Version 1) available at Research Square:https://doi.org/10.21203/rs.3.rs-2988283/v15
Talks
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Invited Talk on Data Representation and Convolutional Neural Networks in Omics Machine Learning
Talk at 机器之心Synced, Zoom Meeting, Singapore
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Invited Talk on Knowledge-Based Small Molecule Drug Representation and Property Prediction
Talk at Yu Muhan * 2022 * Live open seminar(钰沐菡直播公开课), Zoom Meeting, Beijing, Berlin
Teaching
Service and leadership
- Vice chair of AAPS NUS student Chapter: Oct.2020 - Sept.2021