Publications
Research & Citation
MultiEndpointTox is developed in the open. Organized by real publication status — no placeholders standing in for work that doesn't exist yet.
Published
TODO: Documentation not yet available. — no peer-reviewed publication has been accepted yet.
Submitted / Under Review
MultiEndpointTox: A Chemoinformatics Platform for Multidimensional Drug Toxicity Profiling Using Interpretable Machine Learning, Multi-Task Learning, and Integrated Risk Scoring
Sharhabil Amgad Eltahir Mohamedali · Under review
A chemoinformatics platform for multidimensional drug toxicity profiling — full methodology, validation, and case studies. Citation details will be added once the manuscript is accepted.
Preprints
TODO: Documentation not yet available. — no preprint has been posted yet.
In Preparation
TODO: Documentation not yet available.
Software Release (citable now)
MultiEndpointTox: Multi-Endpoint Toxicity Prediction Platform for Drug Safety Assessment with OpenTox 2.0-Aligned Workflows
Sharhabil Amgad Eltahir Mohamedali · Zenodo · v1.2 · 2026-03-10
MultiEndpointTox is a machine-learning REST API for predicting seven drug toxicity endpoints from molecular SMILES strings: hERG cardiotoxicity (regression), drug-induced liver injury (DILI), nephrotoxicity, Ames mutagenicity, skin sensitization, cytotoxicity, and reproductive/developmental toxicity (all classification). Predictions include SHAP feature attribution, structural alert detection, applicability domain assessment, and integrated risk scoring. Implements OpenTox 2.0 compliance principles for FAIR, interoperable, and auditable computational toxicology.
Related reading
Abdelwahab, S. & Hardy, B. (2026). OpenTox 2.0: A Framework for Regulatory-Grade Toxicity Prediction. Journal of Cheminformatics — the compliance framework MultiEndpointTox implements. Not a MultiEndpointTox publication.