First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability

2022/06/29 by Arkaprava Banerjee, Kunal Roy · 1 voice · 12 citations
Chemistry · Computer Science · Pharmacology, Toxicology and Pharmaceutics · #Analytical Chemistry and Chromatography #Computational Drug Discovery Methods #Pharmacogenetics and Drug Metabolism

paper · doi:10.1007/s11030-022-10478-6

crossref issued 2022/06/29 · crossref published 2022/06/29 · crossref published-online 2022/06/29 · openalex publication_date 2022/06/29 · crossref created 2022/06/29 · crossref published-print 2022/10/01 · crossref deposited 2022/10/04 · openalex created_date 2025/10/10 · crossref indexed 2026/07/24 · openalex updated_date 2026/07/25

Cited by

• Risk assessment of industrial chemicals towards salmon species amalgamating QSAR, q-RASAR, and ARKA framework
• Exploration of read-across-based predictions for unveiling the risk of FDA-labeled drug-induced cardiotoxicity (DICT) rank: A careful classification of the most extensive reference list of human drugs
• Exploring aquatic toxicity of diverse pesticides against Chironomus riparius (harlequin fly) and Lemna gibba (swollen duckweed): Applications of QSTR, i-QSTTR, and novel q-RA approaches
• Application of machine learning‐based read‐across structure‐property relationship (RASPR) as a new tool for predictive modelling: Prediction of power conversion efficiency (PCE) for selected classes of organic dyes in dye‐sensitized solar cells (DSSCs)
• Chemometric modelling for eco-toxicological risk assessment of diverse chemicals towards mammalian species
• Integrative QSAR and q-RASAR models for Danio rerio acute toxicity from short-term exposures: Mechanistic insights and data gap filling
• Machine learning-based q-RASAR approach for the in silico identification of novel multi-target inhibitors against Alzheimer's disease
• Integrating traditional QSAR and read-across-based regression models for predicting potential anti-leishmanial azole compounds
• Unveiling first report on in silico modeling of aquatic toxicity of organic chemicals to Labeo rohita (Rohu) employing QSAR and q-RASAR
• The development of classification-based machine-learning models for the toxicity assessment of chemicals associated with plastic packaging
• Machine Learning-Based QSPR Modeling of log CMC Values of Per- and Polyfluoroalkyl Substances (PFASs) and the Identification of Property Cliffs
• Quantitative read-across structure-activity relationship modeling for the prediction of pancreatic lipase inhibitory activity of dietary polyphenols and saponins as potential anti-obesity agents

Discussions

• The first paper on #qRASAR was published by the DTC Laboratory, Jadavpur University in June 2022: doi.org/10.1007/s110.... A SCOPUS search using the keyword "q-RASAR" made on May 1, 2026, returned 51 [bsky, 0 points, 1 comments]