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J

Jonathan D. Hirst

university of nottingham

48H指数
283论文数
7.4K被引数
收录论文 98
发表时间
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Proposed Biosynthesis of the Complex Ring-Fused Diterpene Rameswaralide. Mechanistic Insights Using Density Functional Theory提出的复杂环状二萜类化合物Rameswaralide的生物合成。利用密度泛函理论研究其机理
errThe Journal of Organic Chemistry
IF3.6
err2026-05-28
err0
PREAI
errDi Wang; Tao Zhou; Rui Wang; Michael J. Stocks; Gerald Pattenden; Jonathan D. Hirst; Bencan Tang
err分享
err收藏
Rega: A Platform for the Prediction of the Regioselectivity of C–H Functionalization ReactionsRega：一种用于预测C–H功能化反应区域选择性的平台
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-24
err0
errOAAI
errPeter J. Walton; Habit Tatin; Andrew Baxter; Kristaps Ermanis; Ross M. Denton; Jonathan D. Hirst
err分享
err收藏
DyeDactic workflow to predict halochromism of biosynthetic colourantsDyeDactic 工作流程预测生物合成染料的酸碱指示性
errCommunications Chemistry
IF6.2
err2026-01-10
err0
errOAAI
errDmitry S. Karlov; Rodolfo Marques; Richard J. Wheatley; Jonathan D. Hirst
err分享
err收藏
Explainable Random Forest Predictions of Polyester Biodegradability Using High-Throughput Biodegradation Data使用高通量生物降解数据解释聚酯生物降解性的随机森林预测
errChem. Sci.
IF7.4
err2025-11-18
err0
errOAAI
errPhilippa L Jacob; Madeleine I Parker; Daniel J Keddie; Vincenzo Taresco; Steven M Howdle; Jonathan Hirst
err分享
err收藏
DMPE: A Dual-Branch Molecular Property Encapsulation Framework With Kolmogorov-Arnold NetworksDMPE：一种基于科尔莫哥洛夫-阿诺德网络的双分支分子属性封装框架
errJournal of Computational Chemistry
IF4.8
err2025-11-14
err0
PREAI
errLihui Duo; Bencan Tang; Jonathan D. Hirst; Hua Xie; Jianfeng Ren
err分享
err收藏
Discovery of a Potent Lysine-Specific Histone Demethylase-1 (LSD-1) Inhibitor for Cancer Treatment via Machine Learning, Molecular Modeling, and In Vitro Validation通过机器学习、分子建模和体外验证发现一种用于癌症治疗的强效赖氨酸特异性组蛋白去甲基化酶-1（LSD-1）抑制剂
errChemistry – A European Journal
IF3.7
err2025-10-28
err0
PREAI
errShuya Wang; Lihui Duo; Zhangyi Ma; Zixuan Zhang; Dr. Biyu Hu; Dr. Hainam Do; Binjie Hu; Prof. Michael J. Stocks; Prof. Jianfeng Ren; Dr. Bruno N. Falcone; Prof. Jonathan D. Hirst; Prof. Guang Yang; Prof. Bencan Tang
err分享
err收藏
Practical guidelines for optimising free energy calculations using thermodynamic integration使用热力学积分优化自由能计算的实用指南
errChemical Physics Letters
IF3.1
err2025-09-06
err0
errOAAI
errAdam Knirsch; Bruno N. Falcone; Jonathan D. Hirst
err分享
err收藏
Interconnected Morphological and Electronic Structure Properties of the PBDB-T-2F (PM6) Electron Donor in Bulk Organic Semiconductors体相有机半导体中PBDB-T-2F (PM6)电子给体的形态和电子结构性质相互关联
errACS Applied Energy Materials
IF5.5
err2025-07-30
err0
PREAI
errLing Jiang; Jonathan D. Hirst; Hainam Do
err分享
err收藏
Enhancing Monte Carlo Tree Search for Retrosynthesis增强逆合成路径规划的蒙特卡洛树搜索
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-13
err0
errOAAI
errTon M. Blackshaw; Joseph C. Davies; Kristian T. Spoerer; Jonathan D. Hirst
err分享
err收藏
AI4Green4Students: Promoting Sustainable Chemistry in Undergraduate Laboratories with an Electronic Lab NotebookAI4Green4Students：在本科生实验室中使用电子实验记录本促进可持续化学
errJournal of Chemical Education
IF2.9
err2025-06-05
err0
errOAAI
errPeace C. Nwafor; Shason Gurung; Philip van Krimpen; Lenka Schnaubert; Katherine Jolley; Samantha Pearman-Kanza; Cerys Willoughby; Jonathan D. Hirst
err分享
err收藏
Manipulating adsorbed hydrogen on lanthanum-modified CuOx: Industrial-current-density CO2 electroreduction to C2+ products or CH4在镧改性的CuOx上操纵吸附的氢: 工业电流密度CO2电还原为C2产物或CH4
errAPPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
IF21.1
err2025-05-01
err0
errOAAI
errGuo, Zeyu; Zhu, Huiwen; Yan, Zijun; Lei, Lei; Wang, Degao; Xi, Ziyun; Lian, Yirui; Yu, Jiahui; Fow, Kam Loon; Do, Hainam; Hirst, Jonathan D.; Wu, Tao; Xu, Mengxia
err分享
err收藏
Interactive Knowledge-Based Kernel PCA for Solvent Selection基于交互式知识库的溶剂选择核主成分分析
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2025-03-14
err0
errOAAI
errBoobier, S; Heeley, J; Gärtner, T; Hirst, JD
err分享
err收藏
Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-09-12
err0
errOAAI
errChaudhuri, Shayantan; Rogers, David M.; Hayes, Christopher J.; Inzani, Katherine; Hirst, Jonathan D.
err分享
err收藏
Theoretical Study on the Biosynthesis of the Mandapamates: Mechanistic Insights Using Density Functional Theory
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2024-09-09
err0
errOAAI
errWang, Di; Pattenden, Gerald; Fow, Kam Loon; Stocks, Michael J.; Hirst, Jonathan D.; Tang, Bencan
err分享
err收藏
Artificial intelligence for small molecule anticancer drug discovery用于小分子抗癌药物发现的人工智能
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2024-06-18
err3
PREAI
errDuo, Lihui; Liu, Yu; Ren, Jianfeng; Tang, Bencan; Hirst, Jonathan D.
err分享
err收藏
Solvent flashcards: a visualisation tool for sustainable chemistry溶剂抽认卡: 可持续化学的可视化工具
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-05-28
err0
errOAAI
errHeeley, Joseph; Boobier, Samuel; Hirst, Jonathan D.
err分享
err收藏
Machine learning insights into predicting biogas separation in metal-organic frameworks
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2024-05-08
err1
errOAAI
errCooley, Isabel; Boobier, Samuel; Hirst, Jonathan D.; Besley, Elena
err分享
err收藏
Electrocatalytic CO2 reduction to C2H4: From lab to fab
errJOURNAL OF ENERGY CHEMISTRY
IF14.9
err2024-03-01
err7
errOAAI
errGuo, Zeyu; Yang, Fabao; Li, Xiaotong; Zhu, Huiwen; Do, Hainam; Fow, Kam Loon; Hirst, Jonathan D.; Wu, Tao; Ye, Qiulin; Peng, Yaqi; Wu, Hao Bin; Wu, Angjian; Xu, Mengxia
err分享
err收藏
Discovery of novel SOS1 inhibitors using machine learning利用机器学习发现新型SOS1抑制剂
errRSC MEDICINAL CHEMISTRY
IF3.6
err2024-01-01
err4
errOAAI
errDuo, Lihui; Chen, Yi; Liu, Qiupei; Ma, Zhangyi; Farjudian, Amin; Ho, Wan Yong; Low, Sze Shin; Ren, Jianfeng; Hirst, Jonathan D.; Xie, Hua; Tang, Bencan
err分享
err收藏
Optimizing Excipient Properties to Prevent Aggregation in Biopharmaceutical Formulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-19
err6
errOAAI
errKing, Toby E.; Humphrey, James R.; Laughton, Charles A.; Thomas, Neil R.; Hirst, Jonathan D.
err分享
err收藏

研究方向

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