Integrative QSAR and q-RASAR models for Danio rerio acute toxicity from short-term exposures: Mechanistic insights and data gap filling

2025/09/02 by Lu Li, Supratik Kar · 1 voice
Computer Science · Environmental Science · Veterinary · #Animal testing and alternatives #Computational Drug Discovery Methods #Environmental Toxicology and Ecotoxicology

paper · doi:10.1016/j.jhazmat.2025.139710

openalex publication_date 2025/09/02 · crossref created 2025/09/02 · crossref issued 2025/10/01 · crossref published 2025/10/01 · crossref published-print 2025/10/01 · openalex created_date 2025/10/10 · crossref deposited 2025/11/27 · crossref indexed 2025/11/27 · openalex updated_date 2026/07/23

Citations

• alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints
• First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability

Discussions

• 📘 New study uses QSAR & q-RASAR models to predict zebrafish acute toxicity, supporting regulatory risk assessment and reduced animal testing. 🧮 Descriptors computed with alvaDesc. Paper: doi.org/1 [bsky, 0 points, 0 comments]