Unveiling first report on in silico modeling of aquatic toxicity of organic chemicals to Labeo rohita (Rohu) employing QSAR and q-RASAR

2023/11/28 by Andrea Gallagher, Supratik Kar · 1 voice
Biochemistry, Genetics and Molecular Biology · Computer Science · Environmental Science · #Computational Drug Discovery Methods #Environmental Toxicology and Ecotoxicology #Metabolomics and Mass Spectrometry Studies

paper · doi:10.1016/j.chemosphere.2023.140810

openalex publication_date 2023/11/28 · crossref created 2023/11/28 · crossref issued 2024/02/01 · crossref published 2024/02/01 · crossref published-print 2024/02/01 · crossref deposited 2025/09/23 · openalex created_date 2025/10/10 · crossref indexed 2026/06/25 · openalex updated_date 2026/06/25

Citations

• QSAR without borders
• First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability
• Alvascience: A New Software Suite for the QSAR Workflow Applied to the Blood–Brain Barrier Permeability

Discussions

• AlvaDesc has been used in "Unveiling first report on in silico modeling of aquatic toxicity of organic chemicals to Labeo rohita..." Chemosphere doi.org/10.1016/j.ch... Check on alvaDesc at: alvasci [bsky, 0 points, 0 comments]