pepADMET: A Novel Computational Platform For Systematic ADMET Evaluation of Peptides
Central South University · Huazhong University of Science and Technology · +3 more institutions
Abstract
Peptide-based therapeutics are increasingly emerging as a promising alternative to small molecules and protein drugs. However, their clinical development still faces significant challenges, particularly in terms of efficacy and safety, which are largely attributed to their suboptimal absorption, distribution, metabolism, and excretion properties and potential toxicity risks (ADMET). To address these challenges, we developed pepADMET (https://pepadmet.ddai.tech), the first publicly accessible AI-driven platform for the systematic and comprehensive assessment of peptide ADMET properties. The platform integrated 36,643 high-quality data entries and covers 19 key ADMET endpoints. By combining molecular graph…
Citation impact
- FWCI
- 117.70
- Percentile
- 100%
- References
- 51
Authors
7- XTXiaorong Tan
Central South University, Huazhong University of Science and Technology
- QLQianhui Liu
Central South University
- MZMengting Zhou
Central South University
- YFYanpeng Fang
Central South University
- DODefang Ouyang
University of Macau, State Administration of Traditional Chinese Medicine of the People's Republic of China, Chinese Medical Center
Topics & keywords
- Robustness (evolution)
- Graph
- Drug discovery
- Convolutional neural network
- Quantitative structure–activity relationship
- Peptide
- Deep learning