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Computational Toxicology 封面图

Computational Toxicology

IF2.9
论文数336
被引数794
期刊论文 336
发表时间
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Artificial intelligence-driven advances in drug toxicity prediction人工智能驱动的药物毒性预测进展
deleteComputational Toxicology
IF2.9
delete2026-10-22
delete0
PREAI
deleteYanlei Kang; PengXiang He; Jiale Hu; JunXuan Zhu; ChengLong Yu
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Predictive neurotoxicity prioritization of PCBs via deep learning and adverse outcome pathway-guided experimental validation基于深度学习和不良结局通路指导的实验验证对PCBs的预测性神经毒性优先排序
deleteComputational Toxicology
IF2.9
delete2026-10-22
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PREAI
deleteGuohong Liu; Jiajia Yang; Huimin Beng; Nansha Gao; Xiaofang Li; Changshui Huang
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An interpretable computational framework for nephrotoxicity Hazard identification and dose prediction一种用于肾毒性危害识别和剂量预测的可解释计算框架
deleteComputational Toxicology
IF2.9
delete2026-10-18
delete0
PREAI
deleteYi-Feng Wu; Kun Liu; Li Zhao; Yi-Xuan Deng; Zhi-Yao Tang; Guang-Liang Zhou; Yi-Hu Yi
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A library-wide cytotoxicity filter is not uniform: Bound provenance, testability and coverage in ToxCast invitrodb v4.3库范围细胞毒性过滤标准并不统一：在ToxCast invitrodb v4.3中的来源、可测试性和覆盖范围
deleteComputational Toxicology
IF2.9
delete2026-10-05
delete0
PREAI
deleteJanuary G. Msemakweli; Victor Okpanachi; Iddi Mapande
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Development of an interpretable structural similarity-driven machine learning framework for neurotoxicity prediction基于可解释结构相似性驱动的机器学习框架用于神经毒性预测的开发
deleteComputational Toxicology
IF2.9
delete2026-09-28
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PREAI
deleteSapna Kumari Pandey; Kunal Roy
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Advancing FAIR and integrative physiologically based kinetic (PBK) modelling for polymer safety assessment: A scoping review linking artificial intelligence, in vitro dosimetry, internal exposure, and regulatory science in the context of evolving REACH requirements推进FAIR和整合性生理基础动力学（PBK）建模在聚合物安全性评估中的应用：一项关联人工智能、体外剂量测定、内暴露及监管科学，并针对REACH要求演变的范围综述
deleteComputational Toxicology
IF2.9
delete2026-09-24
delete0
PREAI
deleteSmita Kumbhar; Gautami Bhosale; Dipesh Bagul
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Quantum toxic burden index: a quantum-mechanical framework for modeling environmental exposure mixtures量子毒性负荷指数：一种用于模拟环境暴露混合物的量子力学框架
deleteComputational Toxicology
IF2.9
delete2026-09-19
delete0
PREAI
deleteJanuary G. Msemakweli; Hussein Mohamed; Laurel Kivuyo; Victor Okpanachi
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Computational ecotoxicological framework targeting different-sized oligomers of microplastics with electron transport chain regulatory proteins of Lumbricus terrestris基于不同尺寸微塑料寡聚物与Lumbricus terrestris电子传递链调控蛋白的生态毒理学计算框架
deleteComputational Toxicology
IF2.9
delete2026-09-19
delete0
PREAI
deleteSwagatam Das; Eric D. Van Hullebusch; Silvia Celletti; Padmanaban Velayudhaperumal Chellam
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Evaluation of a mammalian physiologically based kinetic framework for multi-route and cross-species prediction of nano- and microparticle biodistribution基于哺乳动物生理学基础的动力学框架在多途径和跨物种预测纳米及微粒子生物分布中的评估
deleteComputational Toxicology
IF2.9
delete2026-09-15
delete0
deleteOAAI
deleteBingqing Lu; Jiaqi Wang; Damian Roelofsen; Jordi Minnema; D.A. Matthijs de Winter; Christiaan J.E. Delmaar; A. Jan Hendriks; Caterina Zillien; Ad M.J. Ragas
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Parameterisation of PBK models to predict early-life chemical exposure across biological barriers: Applications to placental, blood-brain barrier, and lactational transferPBK模型的参数化以预测化学物质在生物屏障中的早期生命暴露：在胎盘、血脑屏障和哺乳期转移中的应用
deleteComputational Toxicology
IF2.9
delete2026-09-11
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deleteAntonio F. Hernández; Keyvin Darney; Jean-Lou C.M. Dorne; Francesca Metruccio; Alicia Paini; Emanuela Testai; Jochem Louisse
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Machine-readable immune ontogeny maps for AOP-anchoring: A critical review机器可读的免疫系统发育图谱用于AOP锚定：一项综述
deleteComputational Toxicology
IF2.9
delete2026-09-10
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PREAI
deleteRajesh Pamanji
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deleteComputational Toxicology
IF2.9
delete2026-08-31
delete0
PREAI
deleteJuan E. López-Cervantes; Carlos Z. Gómez-Castro; Luis A. Zárate-Hernández; Rosa L. Camacho-Mendoza; Simplicio Montiel-González; José M. Vásquez-Pérez; Marco A. Franco-Pérez; Julián Cruz-Borbolla
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Dual-site binding of BPA analogs to thyroid receptor alpha: A comprehensive computational study with relevance to autoimmunity and toxicological assessment双位点结合：BPA类似物与甲状腺素受体α的全面计算研究及其与自身免疫和毒理学评估的相关性
deleteComputational Toxicology
IF2.9
delete2026-08-27
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deleteRajesh Kumar Pathak; Alberto Fernández; Vikas Kumar
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Standardized toxicity data curation pipeline: A systematic evaluation of data quality control on QSAR model reproducibility and reliability标准化毒性数据整理流程：数据质量控制对QSAR模型可重复性和可靠性的系统性评估
deleteComputational Toxicology
IF2.9
delete2026-08-05
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PREAI
deleteWenjie Zhu; Yifan Liu; Yuejie Wang; Pan Feng
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PBPKO: an ontology for standardizing and harmonizing physiologically based pharmacokinetic (PBPK) modelsPBPKO：用于标准化和协调生理药代动力学（PBPK）模型的本体论
deleteComputational Toxicology
IF2.9
delete2026-08-01
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deleteKumar, Saurav; Sharma, Shubh; Panov, Pance; Kruisselbrink, Johannes W.; Ribas, Antonio Moreno; Deepika, Deepika; Kumar, Vikas
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A three-tier in silico toxicology framework for formulated essential-oil nanocapsules: integrating molecular hazard, release kinetics and nano-bioavailability for safe-and-sustainable-by-design assessment一种三层计算机毒理学框架用于配制精油纳米胶囊：整合分子危害、释放动力学和纳米生物可及性以进行安全与可持续设计评估
deleteComputational Toxicology
IF2.9
delete2026-08-01
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deletede-la-Huerta, Sergio; Diez-Cabanes, Valentin; Gutierrez-Vega, Alberto; Martel, Sonia; Rumbo, Carlos; Marcos, Pedro A.; Bol, Alfredo; Marson, Domenico; Laurini, Erik; Aparicio, Santiago
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Improving concentration–response analysis by handling outlier concentrations通过处理离群浓度改进浓度-反应分析
deleteComputational Toxicology
IF2.9
delete2026-07-16
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deleteElisa Huiying Zhou; Franziska Kappenberg; Jörg Rahnenführer
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TIP: An open-access web resource for transporter interaction predictionTIP：一个用于预测转运蛋白相互作用的开放获取网络资源
deleteComputational Toxicology
IF2.9
delete2026-07-11
delete0
PREAI
deleteAnastasia V. Rudik; Georgy A. Khodos; Leonid A. Stolbov; Alexey А. Lagunin; Dmitry A. Filimonov; Vladimir.V. Poroikov
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Integrating multi-biomarker in silico ventricular cell models with ranking algorithms for enhanced prediction of drug-induced cardiac risk整合多生物标志物计算机心室细胞模型与排序算法以增强药物诱导心脏风险的预测
deleteComputational Toxicology
IF2.9
delete2026-07-09
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PREAI
deleteUlfa Latifa Hanum; Ali Ikhsanul Qauli; Yunendah Nur Fuadah; Aroli Marcellinus; Ki Moo Lim
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Mathematical model for thyroid hormone regulation in foetal rat brain胎鼠大脑甲状腺激素调控的数学模型
deleteComputational Toxicology
IF2.9
delete2026-07-01
delete0
deleteOAAI
deleteThompson, Courtney, V; Leedale, Joseph A.; Charlton, Alex; Webb, Steven D.; Currie, Richard
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