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MAL Unified General Dynamics Theory: The Median Principle for Algorithmic Digital R&D in Life Sciences and Cross-Disciplinary Informatics
Ting-Chao Chou
Posted: 11 March 2026
Operator- and Matrix-Valued Strip-Analytic Abu-Ghuwaleh Transforms: Wiener–Mellin Inversion, System Symbols, and Stable Recovery
Mohammad Abu-Ghuwaleh
Posted: 11 March 2026
A Mixed-Methods Governance Framework for Ethical Artificial Intelligence in Developing Public Sectors: Insights from Libya
Zirawani Binti Baharum
,Abdulbaset Salem Albaour
Posted: 11 March 2026
Hopf-Like Fibrations on Calabi-Yau Manifolds
Deep Bhattacharjee
,Onwuka Frederick
,Riddhima Sadhu
,Susmita Bhattacharjee
,Shounak Bhattacharya
,Soumendra Nath Thakur
,Priyanka Samal
,Pallab Nandi
,Tarun Bhattacharjee
,Sanjeevan Singha Roy
+2 authors
Posted: 11 March 2026
MultiEndpointTox: A Chemoinformatics Platform for Multidimensional Drug Toxicity Profiling Using Interpretable Machine Learning, Multi-Task Learning, and Integrated Risk Scoring
MultiEndpointTox: A Chemoinformatics Platform for Multidimensional Drug Toxicity Profiling Using Interpretable Machine Learning, Multi-Task Learning, and Integrated Risk Scoring
Sharhabil Amgad Eltahir
,Mukhtar Ibrahim Yousef
Drug-induced toxicity remains a principal driver of attrition in pharmaceutical development, yet conventional screening paradigms typically address individual toxicity endpoints in isolation. Here, we introduce MultiEndpointTox, a chemoinformatics platform that simultaneously predicts seven critical drug toxicity endpoints—hERG cardiotoxicity, hepatotoxicity (DILI), nephrotoxicity (DIKI), Ames mutagenicity, skin sensitization, cytotoxicity, and reproductive toxicity (exploratory)—from molecular structures using curated datasets totaling over 18,000 compounds. The platform employs optimized classical machine learning models with systematic benchmarking of 2D topological descriptors (2240 features), enhanced multi-conformer 3D descriptors (1975 features from 5-conformer ensembles incorporating AUTOCORR3D, RDF, WHIM, and pharmacophore fingerprints), and hybrid representations. Under the tested conditions, 2D descriptors achieved the highest classification performance (AUC-ROC 0.859 ± 0.02), while enhanced 3D descriptors substantially narrowed the previously reported gap (AUC-ROC 0.833 ± 0.03 versus 0.69–0.73 for basic 14-feature 3D). Scaffold-based splitting provided rigorous generalization assessment, with an average performance reduction of approximately 8%. A multi-task learning framework via stacked generalization demonstrated cross-endpoint information sharing improves performance for 5 of 6 endpoints (average +2.1% AUC). The platform integrates leverage-based applicability domain assessment (31–100% coverage), SHAP-based feature importance analysis, and a confidence-weighted multi-endpoint risk scoring system validated on known drugs (AUC = 0.83, p = 4.06 × 10−14, Cliff’s δ = 0.66), with sensitivity analysis confirming robustness across five weight configurations (AUC range 0.72–0.98). External validation on independent benchmark datasets revealed the challenge of cross-dataset domain shift in computational toxicology. MultiEndpointTox is deployed as a production-ready REST API and publicly available at https://github.com/sharhabileltahir/MultiEndpointTox.
Drug-induced toxicity remains a principal driver of attrition in pharmaceutical development, yet conventional screening paradigms typically address individual toxicity endpoints in isolation. Here, we introduce MultiEndpointTox, a chemoinformatics platform that simultaneously predicts seven critical drug toxicity endpoints—hERG cardiotoxicity, hepatotoxicity (DILI), nephrotoxicity (DIKI), Ames mutagenicity, skin sensitization, cytotoxicity, and reproductive toxicity (exploratory)—from molecular structures using curated datasets totaling over 18,000 compounds. The platform employs optimized classical machine learning models with systematic benchmarking of 2D topological descriptors (2240 features), enhanced multi-conformer 3D descriptors (1975 features from 5-conformer ensembles incorporating AUTOCORR3D, RDF, WHIM, and pharmacophore fingerprints), and hybrid representations. Under the tested conditions, 2D descriptors achieved the highest classification performance (AUC-ROC 0.859 ± 0.02), while enhanced 3D descriptors substantially narrowed the previously reported gap (AUC-ROC 0.833 ± 0.03 versus 0.69–0.73 for basic 14-feature 3D). Scaffold-based splitting provided rigorous generalization assessment, with an average performance reduction of approximately 8%. A multi-task learning framework via stacked generalization demonstrated cross-endpoint information sharing improves performance for 5 of 6 endpoints (average +2.1% AUC). The platform integrates leverage-based applicability domain assessment (31–100% coverage), SHAP-based feature importance analysis, and a confidence-weighted multi-endpoint risk scoring system validated on known drugs (AUC = 0.83, p = 4.06 × 10−14, Cliff’s δ = 0.66), with sensitivity analysis confirming robustness across five weight configurations (AUC range 0.72–0.98). External validation on independent benchmark datasets revealed the challenge of cross-dataset domain shift in computational toxicology. MultiEndpointTox is deployed as a production-ready REST API and publicly available at https://github.com/sharhabileltahir/MultiEndpointTox.
Posted: 11 March 2026
Your Guide to Select the Commercial Electrochemical Instrument
Paolo Yammine
,Ali Al-Zein
,Tony Tannous
,Hanna El-Nakat
,Doris Homsi
,Elie Atieh
,Zeinab Matar
,Pierre J. Obeid
,Ayman Chmayssem
Posted: 11 March 2026
Stakeholders in Tax Literacy and Tax Education in the European Union: Schools, Communities, and Public Institutions in Relation to Tax Morale and Voluntary Tax Compliance—A Systematic Review
Narcis Eduard Mitu
,George Teodor Mitu
,Mihaela Zglavoci
Posted: 11 March 2026
Bayesian PASA: Adaptive Activation with Uncertainty Quantification under Computational Constraints – Revised Version
Mohsen Mostafa
Posted: 11 March 2026
Further Development of a Low-Energy Arc-Ignition System for Nytrox/ABS Hybrid Propulsion Systems
Stephen A. Whitmore
,Jared S. Coen
,Ryan J. Thibaudeau
Posted: 11 March 2026
The Boltzmann Entropy and Randomness Tests
Peter Gács
Posted: 11 March 2026
Artificial Intelligence in Respiratory Care: An Educational Review
Daniel John Doyle
Posted: 11 March 2026
Artificial Intelligence Based Risk Stratification in Obesity Care: From Diagnosis to Personalised Treatment Pathways
Simona Wójcik
,Monika Tomaszewska
,Anna Rulkiewicz
Posted: 11 March 2026
Optimal Selection of Biodegradable Polymer Composites for Load-Bearing Bone Tissue Engineering: A Hybrid Fuzzy AHP-TOPSIS Framework with Sensitivity-Based Robustness Analysis
Lafi Hamidat
,Dilber Uzun Ozsahin
,Berna Uzun
Posted: 11 March 2026
From Vasomotion to Interoception: The PULSE-V Hypothesis of Predictive Tissue Regulation in Manual Medicine
Artyom Dyupin
Posted: 11 March 2026
The Recent Evolution of the Application of MicroRNAs in Eye-related Disease Research: A Systematic, Bibliometric and Visualized View of the Literature
Phanna Han
,Marady Hun
,Fulgencio Nsue Eyene Nfumu
,Bing Jiang
Posted: 11 March 2026
Strip-Analytic Abu-Ghuwaleh Transforms: Continuous Dilation-Convolution,Wiener–Mellin Inversion, and Stable Log-Scale Recovery
Mohammad Abu-Ghuwaleh
Posted: 11 March 2026
Repulsive Self-Gravity and Emergent Attraction
Salim Yasmineh
Posted: 11 March 2026
Geospatial AIoT for Personalized Slow Tourism Experiences Meeting Urban Senior Care Needs and Promoting Mental Well-Being
Shuriya B
Posted: 11 March 2026
Furunculosis Caused by Aeromonas piscicola: Genomic Insights, Phenotypic Traits and Field Immune Response
Marcos Mancilla
,Adriana Ojeda
,Yassef Yuivar
,Maritza Grandón
,Sebastián Valderrama
,Marcela Oyarzún
,Horst Grothusen
,Pablo Ibarra
,Patricio Bustos
Posted: 11 March 2026
Energetic Characterization of 3-D Printed Acrylonitrile Butadiene Styrene Fuels for Hybrid Rocket Propulsion Applications
Stephen A. Whitmore
,Ryan J. Thibaudeau
,Ava T. Wilkey
Posted: 11 March 2026
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