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SAR and QSAR in Environmental Research|August 30, 2024
Predicting repurposed drugs targeting the NS3 protease of dengue virus using machine learning-based QSAR, molecular docking, and molecular dynamics simulationsY Chongjun, A M S Nasr, M A M Latif, et al.
SAR and QSAR in Environmental Research|September 30, 2024
QSAR modelling of enzyme inhibition toxicity of ionic liquid based on chaotic spotted hyena optimization algorithmA M Alharthi, N A Al-Thanoon, A M Al-Fakih, et al.
SAR and QSAR in Environmental Research|April 29, 2025
Identification, experimental validation, and computational evaluation of potential ALK inhibitors through hierarchical virtual screeningY K Zhang, J B Tong, M X Luo, et al.
SAR and QSAR in Environmental Research|March 24, 2025
Identification of potential inhibitors of hypoxanthine-guanine phosphoribosyl transferase for cancer treatment by molecular docking, dynamics simulation and in vitro studiesO Afzal, A Altharawi, M A Alamri
SAR and QSAR in Environmental Research|June 10, 2024
Identification of inhibitors for neurodegenerative diseases targeting dual leucine zipper kinase through virtual screening and molecular dynamics simulationsS Koirala, S Samanta, P Kar
SAR and QSAR in Environmental Research|May 17, 2024
Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributorsT Jha, R Jana, S Banerjee, et al.
SAR and QSAR in Environmental Research|May 1, 2024
Exploring chemical space, scaffold diversity, and activity landscape of spleen tyrosine kinase active inhibitorsDanishuddin, M Z Malik, M Kashif, et al.
SAR and QSAR in Environmental Research|June 24, 2026
Structure-based identification of inhibitory compounds targeting M32 metallocarboxypeptidase of Leishmania donovaniS Sen, P Jakkula, I A Qureshi
SAR and QSAR in Environmental Research|June 24, 2026
Multiscale computational evaluation of marine fungal metabolites containing iminohydantoin-like scaffolds as anti-Alzheimer drug candidatesA I Foudah, A Ahmad, M A Bakht, et al.
SAR and QSAR in Environmental Research|June 29, 2026
Mapping toxicity pathways of per- and polyfluoroalkyl substances using interpretable classification-based machine learning modelsS Sarkar, S Pore, K Roy
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