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SAR and QSAR in Environmental Research

IF2.4
论文数46
被引数1422
期刊论文 46
发表时间
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AI-driven QSAR modelling and virtual screening in the discovery of selective dopamine D2 receptor ligands人工智能驱动的定量构效关系建模和虚拟筛选在选择性多巴胺D2受体配体发现中的应用
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离子液体作为新兴环境污染物：对其归宿、毒性机制和可持续设计策略的批判性综述
deleteSAR and QSAR in Environmental Research
IF2.4
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PREAI
deleteWang, D.; Ren, H.; Liu, H.
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Drug synergy prediction using heterogeneous stacking ensemble learning基于异构堆叠集成学习的药物协同作用预测
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IF2.4
delete2026-04-03
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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利用混合描述符和基于图机器学习模型预测与阿尔茨海默病相关的乙酰胆碱酯酶抑制
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IF2.4
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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线性模型、量子分子描述符与DSSC效率：一种评估潜在新型敏化染料的方法
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IF2.4
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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缓解毒性预测中的沉默失效：一种归一化异方差贝叶斯框架
deleteSAR and QSAR in Environmental Research
IF2.4
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deleteOzluer Baser, B.
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QSPR models for water solubility of organic compounds using correlation intensity index and Las Vegas algorithm利用相关强度指数和拉斯维加斯算法的有机化合物水溶性QSPR模型
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IF2.4
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deleteToropova, A. P.; Toropov, A. A.; Selvestrel, G.; Iovine, N.; Roncaglioni, A.; Benfenati, E.
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Optima: a GUI-based toolkit for developing and validating interpretable machine learning based supervised classification QSAR modelsOptima：一个基于图形用户界面的开发与验证可解释机器学习监督分类QSAR模型的工具包
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IF2.4
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deleteDasgupta, I.; Roy, R.; Gayen, S.
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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双酚类似物诱导少弱精症的网络毒理学与分子对接研究：BPA、BPS、BPF和BPAF的比较研究
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IF2.4
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deleteHe, H.; Li, J.; Liu, J.; Zong, J.; Jiang, X.; Xiao, M.; Lyu, Y.
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Systematic evaluation of data preprocessing and model selection strategies for reliable pIC50 prediction of acetylcholinesterase inhibitors乙酰胆碱酯酶抑制剂的可靠pIC50预测的数据预处理和模型选择策略的系统评价
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IF2.4
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deleteDelibas, E.; Guler, H. i.
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Integrated chemometric modelling of histamine H3 receptor for the identification of ligands from a natural product repository整合组学建模识别天然产物库中的组胺H3受体配体
deleteSAR and QSAR in Environmental Research
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deleteJandali, N. S.; Samuor, L. A.; Tawaha, K.; Khanfar, M. A.
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Antiepileptic potential of Jatropha integerrima Jacq. extracts: an exploratory study integrating in vivo seizure models and computational analysisJatropha integerrima Jacq. 提取物的抗癫痫潜力：一项整合体内癫痫模型和计算分析的探索性研究
deleteSAR and QSAR in Environmental Research
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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解码结构指纹以阐明抗凋亡蛋白Mcl-1的作用机制
deleteSAR and QSAR in Environmental Research
IF2.4
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deleteGoswami, S.; Tarafdar, R.; Manna, P.; Amin, S. A.
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QSAR-based design of antitubercular pyrrolidine carboxamides基于QSAR的结核病治疗用吡咯烷羧酰胺设计
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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分子对接和动力学模拟鉴定海洋海绵来源的Halenaquinone为类风湿性心脏病有前景的STAT4调节剂
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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双重EGFR-CDK2激酶抑制剂的计算探索和发现: 新型邻苯二甲酰亚胺衍生物的ai-ml powered生物电子等排设计，3D QSAR，对接，DFT和ADMET分析
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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机器学习驱动的三阴性乳腺癌药物发现：聚焦于IDO1和TDO靶点
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delete2026-01-02
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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自洽模型系统与相关强度指数协同或拮抗作用：基于MAO-A抑制剂的联合审视
deleteSAR AND QSAR IN ENVIRONMENTAL RESEARCH
IF2.4
delete2025-12-02
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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 approachEGFR对假三联酪氨酸（YYY）基序及其扩展序列磷酸化密码的亲和力与选择性，在肺癌相关底物-抑制剂对接中的研究：一种整合分子模拟-QSAR建模-体外实验的方法
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IF2.4
delete2025-12-02
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PREAI
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淀粉样蛋白解析：采用药物重定位方法对TasA酶在枯草芽孢杆菌生物膜稳定化中的作用及其抑制谱进行计算建模研究
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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