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SAR and QSAR in Environmental Research

IF2.4
Papers46
Citations1422
Journal Papers 46
Publication Date
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AI-driven QSAR modelling and virtual screening in the discovery of selective dopamine D2 receptor ligands
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-05-04
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PREAI
deleteMaliyakkal, N.; Vishwakarma, H. C.; Kumar, S.; Kattil Parmbil, S.; Neha, K.; Mathew, B.
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Ionic liquids as emerging environmental contaminants: a critical review of fate, toxicity mechanisms, and sustainable design strategies
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-05-01
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PREAI
deleteWang, D.; Ren, H.; Liu, H.
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Drug synergy prediction using heterogeneous stacking ensemble learning
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-04-03
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PREAI
deleteRani, P.; Dutta, K.; Kumar, V.
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Prediction of acetylcholinesterase inhibition associated with Alzheimer's disease using hybrid descriptor and graph-based machine learning models
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IF2.4
delete2026-04-01
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PREAI
deleteLaskar, R. U.; Meena, B. S.; Roy, A.; Borah, A.
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Linear models, quantum molecular descriptors, and DSSC efficiency: an approach for evaluating potential new sensitizing dyes
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IF2.4
delete2026-04-01
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PREAI
deleteMattos, E. F. S.; Vieira, I. F.; Mendonca, G. S.; da Costa, N. B.
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Mitigating silent failures in toxicity prediction: a conformalized heteroscedastic Bayesian framework
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IF2.4
delete2026-04-01
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PREAI
deleteOzluer Baser, B.
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Optima: a GUI-based toolkit for developing and validating interpretable machine learning based supervised classification QSAR models
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IF2.4
delete2026-04-01
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PREAI
deleteDasgupta, I.; Roy, R.; Gayen, S.
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QSPR models for water solubility of organic compounds using correlation intensity index and Las Vegas algorithm
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IF2.4
delete2026-04-01
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PREAI
deleteToropova, A. P.; Toropov, A. A.; Selvestrel, G.; Iovine, N.; Roncaglioni, A.; Benfenati, E.
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Network toxicology and molecular docking elucidation of oligoasthenospermia induced by bisphenol analogues: a comparative study of BPA, BPS, BPF, and BPAF
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IF2.4
delete2026-04-01
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PREAI
deleteHe, H.; Li, J.; Liu, J.; Zong, J.; Jiang, X.; Xiao, M.; Lyu, Y.
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Integrated chemometric modelling of histamine H3 receptor for the identification of ligands from a natural product repository
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IF2.4
delete2026-04-01
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deleteJandali, N. S.; Samuor, L. A.; Tawaha, K.; Khanfar, M. A.
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Systematic evaluation of data preprocessing and model selection strategies for reliable pIC50 prediction of acetylcholinesterase inhibitors
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IF2.4
delete2026-04-01
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deleteDelibas, E.; Guler, H. i.
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Antiepileptic potential of Jatropha integerrima Jacq. extracts: an exploratory study integrating in vivo seizure models and computational analysis
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IF2.4
delete2026-03-01
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deleteFatima, S.; Nasir, F.; Ahmed, A.
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Decoding structural fingerprints to elucidate the mechanism of action of anti-apoptotic protein Mcl-1
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-03-01
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PREAI
deleteGoswami, S.; Tarafdar, R.; Manna, P.; Amin, S. A.
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QSAR-based design of antitubercular pyrrolidine carboxamides
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-03-01
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PREAI
deleteHernandez-Lima, J. G.; Mercado-Sanchez, I.; Chavez-Rocha, R.; Vargas-Rodriguez, I.; Vazquez, M. A.; Bazan-Jimenez, A.; Del Refugio Cuevas-Flores, M.; Robles, J.; Garcia-Revilla, M. A.
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Molecular docking and dynamics simulations identify marine sponge-derived Halenaquinone as a promising STAT4 modulator for rheumatic heart disease
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-03-01
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PREAI
deleteSkariyachan, S.; Mathamangalath, G. K.; Sebastian, D.; Sreejith, K.
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Computational exploration and discovery of dual EGFR-CDK2 kinase inhibitors: AI-ML powered bioisosteric design, 3D QSAR, docking, DFT and ADMET analysis of novel phthalimide derivatives
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-03-01
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PREAI
deleteMatore, B. W.; Murmu, A.; Roy, P. P.; Singh, J.
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Machine learning-driven drug discovery for the management of TNBC: focus on IDO1 and TDO targets
deleteSAR and QSAR in Environmental Research
IF2.4
delete2026-01-02
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PREAI
deletePriyanga, P.; Ramanathan, K.; Shanthi, V.
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System of self-consistent models synergistic or antagonistic with correlation intensity index: a combined perusal using MAO-A inhibitors
deleteSAR AND QSAR IN ENVIRONMENTAL RESEARCH
IF2.4
delete2025-12-02
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PREAI
deleteBhawna; Kumar, A.; Singh, V.; Kumar, P.; Kumar, S.
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EGFR affinity and selectivity for the phosphorylation codes of pseudo triad tyrosine (YYY) motif and its extensions in lung cancer-related substrate-inhibitor alignment: an integrated molecular simulation-QSAR modelling-in vitro assay approach
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IF2.4
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deleteWang, Z.; Dong, L.; Liu, H.; Song, Y.
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Amyloid unravelled: computational modelling of the TasA enzyme in stabilizing biofilms in Bacillus cereus and its inhibitory profiles using a drug repurposing approach
deleteSAR AND QSAR IN ENVIRONMENTAL RESEARCH
IF2.4
delete2025-12-02
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deleteAbhirami, R.; Selvaraj, C.; Singh, S. K.
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