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SAR and QSAR in Environmental Research|November 12, 2025
Effects of Tween 80 on three enzymes' activity in ibuprofen degradation: an insight into molecular docking and MD simulationsX Yao, L Chen, H Zhang, et al.SAR and QSAR in Environmental Research|September 10, 2025
Structural characterization of length-varying peptide sequences for peptide quantitative structure-activity relationshipY Zhang, K Li, Y Gan, et al.SAR and QSAR in Environmental Research|September 10, 2025
Harnessing the potential of phytochemicals to design anti-filarial molecules targeting the MurE enzyme of Brugia malayi: a hierarchical virtual screening and molecular dynamics simulation studyD Prabhu, M Sureshan, S Rajamanikandan, et al.SAR and QSAR in Environmental Research|September 8, 2025
First report on machine learning based multiclass classification of Caco-2 permeability using different balancing strategiesI Dasgupta, S GayenSAR and QSAR in Environmental Research|June 4, 2025
High performance, large chemical coverage or both: DanishQSAR and hierarchies of post-hoc ensemble models optimized for sensitivity, specificity or balanced accuracyN G Nikolov, E B WedebyeSAR and QSAR in Environmental Research|February 21, 2024
Ligand and structure-based discovery of phosphorus-containing compounds as potential metalloproteinase inhibitorsY Cañizares-Carmenate, Y Perera-Sardiña, Y Marrero-Ponce, et al.SAR and QSAR in Environmental Research|February 14, 2024
Docking and other computing tools in drug design against SARS-CoV-2A V Sulimov, I S Ilin, A S Tashchilova, et al.SAR and QSAR in Environmental Research|February 7, 2024
Development of terpenoid repellents against Aedes albopictus: a combined study of biological activity evaluation and computational modellingJ Wang, X Feng, W Yuan, et al.SAR and QSAR in Environmental Research|February 5, 2024
Development of a standardized methodology for transfer learning with QSAR models: a purely data-driven approach for source task selectionL Melo, L Scotti, M T ScottiSAR and QSAR in Environmental Research|January 18, 2024
Descriptor generation from Morgan fingerprint using persistent homologyT EhiroPageof 134