% Published records displayed on this website.

@article{nguyen2026dual,
  title={Dual-Attention Multimodal Framework for Molecular Property Prediction},
  author={Nguyen, Bay Van and Truong, Vinh and Hong, Ha Duong Thi and Tran-Trung, Kiet and Nguyen-Vo, Thanh-Hoang and Nguyen, Binh P.},
  journal={Journal of Chemical Information and Modeling},
  year={2026},
  volume={66},
  number={16},
  pages={9787--9802},
  doi={10.1021/acs.jcim.5c02663},
  keywords={Deep Learning, Computer-aided Drug Design},
  status={published},
}

@article{rajendran2026arae,
  title={Evaluating the outputs of ARAE-based molecular generative model for synthetic accessibility and BTK inhibition},
  author={Rajendran, Goutham and Nguyen-Vo, Thanh-Hoang and Murray, Hunter C. and Keyzers, Robert A. and McCone, Jordan A. J. and Jiao, Wanting and Teesdale-Spittle, Paul H. and Nguyen, Binh P. and Harvey, Joanne E.},
  journal={Bioorganic & Medicinal Chemistry},
  year={2026},
  volume={143},
  pages={118785},
  doi={10.1016/j.bmc.2026.118785},
  keywords={Deep Learning, Computer-aided Drug Design},
  status={published},
}

@article{pham2026mehc,
  title={MEHC-Curation: A Python Framework for High-Quality Molecular Dataset Curation},
  author={Pham, Trong-Chinh and Nguyen-Dang, Nhat-Anh and Nguyen-Vo, Thanh-Hoang and Nguyen, Binh P.},
  journal={Journal of Chemical Information and Modeling},
  year={2026},
  volume={66},
  number={5},
  pages={2451--2457},
  doi={10.1021/acs.jcim.5c02754},
  keywords={Data Science, Computer-aided Drug Design},
  status={published},
}

@inproceedings{nguyen2025iacp,
  title={iACP-KAN: Identifying Anticancer Peptides using Kolmogorov-Arnold Network},
  author={Nguyen-Vo, Thanh-Hoang and Li, Zheng and Trinh, Quang H. and Duong, Huu-Thanh and Do, Trang T. T. and Nguyen, Binh P.},
  booktitle={2025 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)},
  year={2025},
  pages={1--7},
  doi={10.1109/CIBCB66090.2025.11177104},
  keywords={Bioinformatics, Deep Learning},
  status={published},
}

@article{vinh2025masked,
  title={Masked Graph Transformer for Blood-Brain Barrier Permeability Prediction},
  author={Vinh, Tuan and Le, Phuc H. and Nguyen, Binh P. and Nguyen-Vo, Thanh-Hoang},
  journal={Journal of Molecular Biology},
  year={2025},
  volume={437},
  number={6},
  pages={168983},
  doi={10.1016/j.jmb.2025.168983},
  keywords={Deep Learning, Computer-aided Drug Design},
  status={published},
}

@inproceedings{nguyenvo2024cv29,
  title={An effective ensemble deep learning framework for blood-brain barrier permeability prediction},
  author={Thanh-Hoang Nguyen-Vo and Trang T. T. Do and Binh P. Nguyen},
  year={2024},
  booktitle={2024 IEEE Conference on Artificial Intelligence},
  doi={10.1109/CAI59869.2024.00038},
  status={published},
  pages={164--169},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyen2024peptides,
  title={An efficient hybrid deep learning architecture for predicting short antimicrobial peptides},
  author={Nguyen, Quang H. and Nguyen-Vo, Thanh-Hoang and Do, Trang T. T. and Nguyen, Binh P.},
  journal={Proteomics},
  year={2024},
  volume={24},
  number={14},
  pages={2300382},
  doi={10.1002/pmic.202300382},
  keywords={Bioinformatics, Deep Learning},
  status={published},
}

@inproceedings{nguyenvo2024cv30,
  title={i6mA-CNN: A Web-based System to Identify DNA N 6-Methyladenine Sites in Mouse Genomes},
  author={Thanh-Hoang Nguyen-Vo and Susanto Rahardja and Binh P. Nguyen},
  year={2024},
  booktitle={2024 IEEE International Symposium on Circuits and Systems},
  doi={10.1109/ISCAS58744.2024.10558061},
  status={published},
  pages={1--5},
  keywords={Bioinformatics, Deep Learning},
}

@inproceedings{nguyenvo2024cv28,
  title={Identifying Nephrotoxicity of Small Molecules Using Machine Learning},
  author={Thanh-Hoang Nguyen-Vo and Linh Bui and Trang T. T. Do and Susanto Rahardja and Binh P. Nguyen},
  year={2024},
  booktitle={TENCON 2024-2024 IEEE Region 10 Conference},
  doi={10.1109/TENCON61640.2024.10902993},
  status={published},
  pages={482--485},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{vinh2024cv05,
  title={In silico identification of Histone Deacetylase inhibitors using Streamlined Masked Transformer-based Pretrained features},
  author={Tuan Vinh and Thanh-Hoang Nguyen-Vo and Viet-Tuan Le and Xuan-Phuc Phan-Nguyen and Binh P. Nguyen},
  year={2024},
  journal={Methods},
  doi={10.1016/j.ymeth.2024.11.009},
  status={published},
  volume={234},
  pages={1--9},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyenvo2024cv08,
  title={Molecular representations in bio-cheminformatics},
  author={Thanh-Hoang Nguyen-Vo and Paul Teesdale-Spittle and Joanne E. Harvey and Binh P. Nguyen},
  year={2024},
  journal={Memetic Computing},
  doi={10.1007/s12293-024-00414-6},
  status={published},
  volume={16},
  pages={519--536},
  number={3},
  keywords={Computer-aided Drug Design, Data Science},
}

@article{nguyen2024multitask,
  title={Multitask Learning on Graph Convolutional Residual Neural Networks for Screening of Multitarget Anticancer Compounds},
  author={Nguyen-Vo, Thanh-Hoang and Do, Trang T. T. and Nguyen, Binh P.},
  journal={Journal of Chemical Information and Modeling},
  year={2024},
  volume={64},
  number={18},
  pages={6957--6968},
  doi={10.1021/acs.jcim.4c00643},
  keywords={Deep Learning, Computer-aided Drug Design},
  status={published},
}

@article{vinh2024cv10,
  title={Predicting cardiotoxicity of molecules using attention-based graph neural networks},
  author={Tuan Vinh and Loc Nguyen and Quang H. Trinh and Thanh-Hoang Nguyen-Vo and Binh P. Nguyen},
  year={2024},
  journal={Journal of Chemical Information and Modeling},
  doi={10.1021/acs.jcim.3c01286},
  status={published},
  volume={64},
  pages={1816--1827},
  number={6},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyen2024resgat,
  title={ResGAT: Residual Graph Attention Networks for molecular property prediction},
  author={Nguyen-Vo, Thanh-Hoang and Do, Trang T. T. and Nguyen, Binh P.},
  journal={Memetic Computing},
  year={2024},
  volume={16},
  number={3},
  pages={491--503},
  doi={10.1007/s12293-024-00423-5},
  keywords={Deep Learning, Computer-aided Drug Design},
  status={published},
}

@article{nguyen2023cv12,
  title={eMIC-AntiKP: estimating minimum inhibitory concentrations of antibiotics towards Klebsiella pneumoniae using deep learning},
  author={Quang H. Nguyen and Hoang H. Ngo and Thanh-Hoang Nguyen-Vo and Trang T. T. Do and Susanto Rahardja and Binh P. Nguyen},
  year={2023},
  journal={Computational and Structural Biotechnology Journal},
  doi={10.1016/j.csbj.2022.12.041},
  status={published},
  volume={21},
  pages={751--757},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyen2023i4mc,
  title={i4mC-GRU: Identifying DNA N4-Methylcytosine sites in mouse genomes using bidirectional gated recurrent unit and sequence-embedded features},
  author={Nguyen-Vo, Thanh-Hoang and Trinh, Quang H. and Nguyen, Loc and Nguyen-Hoang, Phuong-Uyen and Rahardja, Susanto and Nguyen, Binh P.},
  journal={Computational and Structural Biotechnology Journal},
  year={2023},
  volume={21},
  pages={3045--3053},
  doi={10.1016/j.csbj.2023.05.014},
  keywords={Bioinformatics, Deep Learning},
  status={published},
}

@article{do2023cv13,
  title={iNSP-GCAAP: Identifying nonclassical secreted proteins using global composition of amino acid properties},
  author={Trang T. T. Do and Thanh-Hoang Nguyen-Vo and Hung T. Pham and Quang H. Trinh and Binh P. Nguyen},
  year={2023},
  journal={Proteomics},
  doi={10.1002/pmic.202100134},
  status={published},
  volume={23},
  pages={2100134},
  number={1},
  keywords={Bioinformatics, Data Science},
}

@incollection{do2023cv32,
  title={iR1mA-LSTM: Identifying N 1-Methyladenosine Sites in Human Transcriptomes Using Attention-Based Bidirectional Long Short-Term Memory},
  author={Trang T. T. Do and Thanh-Hoang Nguyen-Vo and Quang H. Trinh and Phuong-Uyen Nguyen-Hoang and Loc Nguyen and Binh P. Nguyen},
  year={2023},
  booktitle={Deep Learning and Other Soft Computing Techniques: Biomedical and Related Applications},
  doi={10.1007/978-3-031-29447-1_5},
  status={published},
  pages={53--63},
  publisher={Springer Nature Switzerland},
  keywords={Bioinformatics, Deep Learning},
}

@inproceedings{nguyen2023cv31,
  title={iR6mA-RNN: identifying N6-methyladenosine sites in eukaryotic transcriptomes using recurrent neural networks and sequence-embedded features},
  author={Binh P. Nguyen and Thanh-Hoang Nguyen-Vo and Loc Nguyen and Quang H. Trinh and C. Baliuag and Trang T. T. Do and Susanto Rahardja},
  year={2023},
  booktitle={2023 IEEE Statistical Signal Processing Workshop},
  doi={10.1109/SSP53291.2023.10207989},
  status={published},
  pages={374--377},
  keywords={Bioinformatics, Deep Learning},
}

@article{truong2022heart,
  title={Application of machine learning in screening for congenital heart diseases using fetal echocardiography},
  author={Truong, Vien T. and Nguyen, Binh P. and Nguyen-Vo, Thanh-Hoang and Mazur, Wojciech and Chung, Eugene S. and Palmer, Cassady and Tretter, Justin T. and Alsaied, Tarek and Pham, Vy T. and Do, Huan Q. and Do, Phuong T. N. and Pham, Vinh N. and Ha, Ban N. and Chau, Hoa N. and Le, Tuyen K.},
  journal={The International Journal of Cardiovascular Imaging},
  year={2022},
  volume={38},
  number={5},
  pages={1007--1015},
  doi={10.1007/s10554-022-02566-3},
  keywords={Health Informatics, Data Science},
  status={published},
}

@article{nguyen2022cv16,
  title={iANP-EC: identifying anticancer natural products using ensemble learning incorporated with evolutionary computation},
  author={Loc Nguyen and Thanh-Hoang Nguyen-Vo and Quang H. Trinh and Bach Hoai Nguyen and Phuong-Uyen Nguyen-Hoang and Ly Le and Binh P. Nguyen},
  year={2022},
  journal={Journal of Chemical Information and Modeling},
  doi={10.1021/acs.jcim.1c00920},
  status={published},
  volume={62},
  pages={5080--5089},
  number={21},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyenvo2022cv14,
  title={iPromoter-Seqvec: identifying promoters using bidirectional long short-term memory and sequence-embedded features},
  author={Thanh-Hoang Nguyen-Vo and Quang H. Trinh and Loc Nguyen and Phuong-Uyen Nguyen-Hoang and Susanto Rahardja and Binh P. Nguyen},
  year={2022},
  journal={BMC Genomics},
  doi={10.1186/s12864-022-08829-6},
  status={published},
  volume={23},
  pages={681},
  number={Suppl 5},
  keywords={Bioinformatics, Data Science},
}

@article{nguyenvo2021cv17,
  title={iCYP-MFE: Identifying human cytochrome P450 inhibitors using multitask learning and molecular fingerprint-embedded encoding},
  author={Thanh-Hoang Nguyen-Vo and Quang H. Trinh and Loc Nguyen and Phuong-Uyen Nguyen-Hoang and Thien-Ngan Nguyen and Dung T. Nguyen and Binh P. Nguyen and Ly Le},
  year={2021},
  journal={Journal of Chemical Information and Modeling},
  doi={10.1021/acs.jcim.1c00628},
  status={published},
  volume={62},
  pages={5059--5068},
  number={21},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyenvo2021cv18,
  title={Predicting antimalarial activity in natural products using pretrained bidirectional encoder representations from transformers},
  author={Thanh-Hoang Nguyen-Vo and Quang H. Trinh and Loc Nguyen and Trang T. T. Do and Matthew Chin Heng Chua and Binh P. Nguyen},
  year={2021},
  journal={Journal of Chemical Information and Modeling},
  doi={10.1021/acs.jcim.1c00584},
  status={published},
  volume={62},
  pages={5050--5058},
  number={21},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyenvo2020cv19,
  title={Predicting drug-induced liver injury using convolutional neural network and molecular fingerprint-embedded features},
  author={Thanh-Hoang Nguyen-Vo and Loc Nguyen and Nguyet Do and Phuc H. Le and Thien-Ngan Nguyen and Binh P. Nguyen and Ly Le},
  year={2020},
  journal={ACS Omega},
  doi={10.1021/acsomega.0c03866},
  status={published},
  volume={5},
  pages={25432--25439},
  number={39},
  keywords={Computer-aided Drug Design, Deep Learning},
}

@article{nguyen2019cv23,
  title={iEnhancer-ECNN: identifying enhancers and their strength using ensembles of convolutional neural networks},
  author={Quang H. Nguyen and Thanh-Hoang Nguyen-Vo and Nguyen Quoc Khanh Lee and Trang T. T. Do and Susanto Rahardja and Binh P. Nguyen},
  year={2019},
  journal={BMC Genomics},
  doi={10.1186/s12864-019-6336-3},
  status={published},
  volume={20},
  pages={951},
  number={Suppl 9},
  keywords={Bioinformatics, Deep Learning},
}

@article{nguyen2019cv22,
  title={iProDNA-CapsNet: identifying protein-DNA binding residues using capsule neural networks},
  author={Binh P. Nguyen and Quang H. Nguyen and Giang-Nam Doan-Ngoc and Thanh-Hoang Nguyen-Vo and Susanto Rahardja},
  year={2019},
  journal={BMC Bioinformatics},
  doi={10.1186/s12859-019-3295-2},
  status={published},
  volume={20},
  pages={634},
  number={Suppl 23},
  keywords={Bioinformatics, Deep Learning},
}

@article{nguyenvo2019cv21,
  title={iPseU-NCP: Identifying RNA pseudouridine sites using random forest and NCP-encoded features},
  author={Thanh-Hoang Nguyen-Vo and Quang H. Nguyen and Trang T. T. Do and Thien-Ngan Nguyen and Susanto Rahardja and Binh P. Nguyen},
  year={2019},
  journal={BMC Genomics},
  doi={10.1186/s12864-019-6357-y},
  status={published},
  volume={20},
  pages={971},
  number={Suppl 10},
  keywords={Bioinformatics, Data Science},
}

@article{nguyenvo2019cv20,
  title={Plant metabolite databases: from herbal medicines to modern drug discovery},
  author={Thanh-Hoang Nguyen-Vo and Loc Nguyen and Nguyet Do and Thien-Ngan Nguyen and Khang Trinh and Hung Cao and Ly Le},
  year={2019},
  journal={Journal of Chemical Information and Modeling},
  doi={10.1021/acs.jcim.9b00826},
  status={published},
  volume={60},
  pages={1101--1110},
  number={3},
  keywords={Computer-aided Drug Design, Data Science},
}

@article{nguyenvo2018cv24,
  title={VIETHERB: a database for Vietnamese herbal species},
  author={Thanh-Hoang Nguyen-Vo and Tri Le and Duy Pham and Tri Nguyen and Phuc Le and An Nguyen and Thanh Nguyen and Thien-Ngan Nguyen and Vu Nguyen and Hai Do and Khang Trinh and Hai Trong Duong and Ly Le},
  year={2018},
  journal={Journal of Chemical Information and Modeling},
  doi={10.1021/acs.jcim.8b00399},
  status={published},
  volume={59},
  pages={1--9},
  number={1},
  keywords={Computer-aided Drug Design, Data Science},
}

@article{nguyenvo2017cv25,
  title={In vivo study on ethanolic extract of allium cepa on mice to evaluate the anti-hyperglycemic activity},
  author={Thanh-Hoang Nguyen-Vo and Dat Nguyen and Phuc Le and Hieu Doan and Quy Trinh and Ngan Tran and Ly Le},
  year={2017},
  journal={Vietnam Journal of Science and Technology},
  doi={10.15625/2525-2518/55/6A/12371},
  status={published},
  volume={55},
  pages={112--119},
  number={6A},
  keywords={Computer-aided Drug Design},
}

@article{nguyenvo2016cv26,
  title={An in silico study on antidiabetic activity of bioactive compounds in Euphorbia thymifolia Linn.},
  author={Thanh-Hoang Nguyen-Vo and Ngan Tran and Dat Nguyen and Ly Le},
  year={2016},
  journal={SpringerPlus},
  doi={10.1186/s40064-016-2631-5},
  status={published},
  volume={5},
  pages={1359},
  keywords={Computer-aided Drug Design},
  number={1},
}