Celiac Informatics
> About Celiac Informatics
Celiac Informatics: A cheminformatics web tool for rapidly screening potential inhibitors for the target of Celiac disease, Transglutaminase 2 (TG2)
Wichka, Ibrahim & Lai, Pin-Kuang. (2024). Rapid Discovery of Transglutaminase 2 Inhibitors for Celiac Disease with Boosting Ensemble Machine Learning. Computational and Structural Biotechnology Journal. 23. 10.1016/j.csbj.2024.10.019.
Celiac Informatics predicts a potential molecule's capacity to inhibit TG2, its relative IC50 ranking compared to other candidates, the molecular fingerprints and descriptors that drive its status, and five drug-likeness rules for the molecule.
How to Use Celiac Informatics:
- Enter the SMILES notation of the molecular candidate.
- Click the "Submit" button to generate the candidate's reports.
- Molecules must pass preliminary requirements and a drug-likeness test to receive bioactivity and feature importance reports.
- Only active molecules will receive an IC50 ranking report.
> SMILES Submission
Bioactivity/Inhibition Report
No results available.