Jonathan Fine - Publications, H-index & Citations

Jonathan Fine

Merck & Co., Inc.

22H指数

157论文数

2.8K被引数

收录论文 32

发表时间

Uncertainty-Aware Learning of Multiple Conditions as a Framework for Streamlined Retention Time Prediction to Accelerate Method Development 将多个条件的不确定性感知学习作为简化保留时间预测的框架，以加速方法开发

Analytical Chemistry

IF6.7

2026-02-02

PREAI

Armen G. Beck; Gwenyth Jones; Andrew Singh; Jonathan Fine; Rojan Shrestha; Rodell C. Barrientos; Edward C. Sherer; Katharine B. Williams; Erik L. Regalado; Pankaj Aggarwal

Recurrent Neural Networks Predict Future Peptide Aggregation for Drug Development 循环神经网络预测未来肽聚集用于药物开发

MOLECULAR PHARMACEUTICS

IF4.5

2025-10-01

PREAI

Wijewardhane, Prageeth R.; Smith, Katelyn; Fine, Jonathan; Bothe, Jameson R.; Wuelfing, Peter; Liu, Yong; Chopra, Gaurav

Stability impact from a titanium dioxide-free film-coated tablet: An analytical investigation into photo-, physical, and chemical stability of compressed tablets made with alternative film-coating materials 不含二氧化钛的薄膜包衣片剂的稳定性影响：对使用替代薄膜包衣材料制成的压缩片剂的光照稳定性、物理稳定性和化学稳定性的分析研究

Journal of Pharmaceutical Sciences

IF3.8

2025-05-29

PREAI

Matthew J. Gunsch; Sara Koynov; Devan McCoy; Mario Gutierrez; Trent Eastman; Yun Chen; Jiaying Liu; Plamen Grigorov; Pankaj Aggarwal; Jonathan Fine; Leonardo R. Allain; Pavithra Sundararajan; Sanjaykumar Patel; Andre Hermans

Amyloid-β induces lipid droplet-mediated microglial dysfunction via the enzyme DGAT2 in Alzheimer’s disease 阿尔茨海默病中，淀粉样蛋白-β通过DGAT2酶诱导脂滴介导的小胶质细胞功能障碍。

Immunity

IF26.3

2025-05-19

PREAI

Priya Prakash; Palak Manchanda; Evi Paouri; Kanchan Bisht; Kaushik Sharma; Jitika Rajpoot; Victoria Wendt; Ahad Hossain; Prageeth R. Wijewardhane; Caitlin E. Randolph; Yihao Chen; Sarah Stanko; Nadia Gasmi; Anxhela Gjojdeshi; Sophie Card; Jonathan Fine; Krupal P. Jethava; Matthew G. Clark; Bin Dong; Seohee Ma; Alexis Crockett; Elizabeth A. Thayer; Marlo Nicolas; Ryann Davis; Dhruv Hardikar; Daniela Allende; Richard A. Prayson; Chi Zhang; Dimitrios Davalos; Gaurav Chopra

Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-01-30

PREAI

Beck, Armen G.; Fine, Jonathan; Lam, Yu-hong; Sherer, Edward C.; Regalado, Erik L.; Aggarwal, Pankaj

Paddy: an evolutionary optimization algorithm for chemical systems and spaces Paddy：一种用于化学系统和空间的进化优化算法

DIGITAL DISCOVERY

IF5.6

2025-01-01

OAAI

Beck, Armen G.; Iyer, Sanjay; Fine, Jonathan; Chopra, Gaurav

Machine learning models and performance dependency on 2D chemical descriptor space for retention time prediction of pharmaceuticals 用于药物保留时间预测的2D化学描述符空间上的机器学习模型和性能依赖性

JOURNAL OF CHROMATOGRAPHY A

IF4

2024-08-01

PREAI

Beck, Armen G.; Fine, Jonathan; Aggarwal, Pankaj; Regalado, Erik L.; Levorse, Dorothy; Silva, Jordan De Jesus; Sherer, Edward C.

Structure Based Machine Learning Prediction of Retention Times for LC Method Development of Pharmaceuticals 基于结构的机器学习预测药物LC方法开发的保留时间

PHARMACEUTICAL RESEARCH

IF4.3

2024-02-08

PREAI

Fine, Jonathan; Mann, Amanda K. Peterson; Aggarwal, Pankaj

Nitrosamine acceptable intakes should consider variation in molecular weight: The implication of stoichiometric DNA damage

REGULATORY TOXICOLOGY AND PHARMACOLOGY

IF3.5

2023-12-01

OAAI

Fine, Jonathan; Allain, Leonardo; Schlingemann, Joerg; Ponting, David J.; Thomas, Robert; Johnson, George E.

Learning Relationships Between Chemical and Physical Stability for Peptide Drug Development

PHARMACEUTICAL RESEARCH

IF4.3

2023-02-16

PREAI

Fine, Jonathan; Wijewardhane, Prageeth R.; Mohideen, Sheik Dawood Beer; Smith, Katelyn; Bothe, Jameson R.; Krishnamachari, Yogita; Andrews, Alexandra; Liu, Yong; Chopra, Gaurav

Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCK

FRONTIERS IN CHEMISTRY

IF4.2

2022-01-17

OAAI

Falls, Zackary; Fine, Jonathan; Chopra, Gaurav; Samudrala, Ram

PM2.5 Concentration and Composition in Subway Systems in the Northeastern United States

ENVIRONMENTAL HEALTH PERSPECTIVES

IF9.8

2021-02-01

OAAI

Luglio, David G.; Katsigeorgis, Maria; Hess, Jade; Kim, Rebecca; Adragna, John; Raja, Amna; Gordon, Colin; Fine, Jonathan; Thurston, George; Gordon, Terry; Vilcassim, M. J. Ruzmyn

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines toward Fast Multicomponent Reactions

ORGANIC LETTERS

IF5

2020-10-19

PREAI

Jethava, Krupal P.; Fine, Jonathan; Chen, Yingqi; Hossain, Ahad; Chopra, Gaurav

DUBS: A Framework for Developing Directory of Useful Benchmarking Sets for Virtual Screening

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-07-08

OAAI

Fine, Jonathan; Muhoberac, Matthew; Fraux, Guillaume; Chopra, Gaurav

CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-02-18

OAAI

Fine, Jonathan; Konc, Janez; Samudrala, Ram; Chopra, Gaurav

Graph-based machine learning interprets and predicts diagnostic isomer-selective ion-molecule reactions in tandem mass spectrometry

CHEMICAL SCIENCE

IF7.4

2020-01-01

OAAI

Fine, Jonathan; Liu, Judy Kuan-Yu; Beck, Armen; Alzarieni, Kawthar Z.; Ma, Xin; Boulos, Victoria M.; Kenttamaa, Hilkka, I; Chopra, Gaurav

Spectral deep learning for prediction and prospective validation of functional groups

CHEMICAL SCIENCE

IF7.4

2020-01-01

OAAI

Fine, Jonathan A.; Rajasekar, Anand A.; Jethava, Krupal P.; Chopra, Gaurav

Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indications

SCIENTIFIC REPORTS

IF3.9

2019-09-11

OAAI

Fine, Jonathan; Lackner, Rachel; Samudrala, Ram; Chopra, Gaurav

Exchange-repulsion energy in QM/EFP

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-09-05

PREAI

Rojas, Claudia I. Viquez; Fine, Jonathan; Slipchenko, Lyudmila V.

Procalcitonin-Guided Use of Antibiotics for Lower Respiratory Tract Infection

NEW ENGLAND JOURNAL OF MEDICINE

IF78.5

2018-07-19

294

OAAI

Huang, D. T.; Yealy, D. M.; Filbin, M. R.; Brown, A. M.; Chang, C-C H.; Doi, Y.; Donnino, M. W.; Fine, J.; Fine, M. J.; Fischer, M. A.; Holst, J. M.; Hou, P. C.; Kellum, J. A.; Khan, F.; Kurz, M. C.; Lotfipour, S.; LoVecchio, F.; Peck-Palmer, Om; Pike, F.; Prunty, H.; Sherwin, R. L.; Southerland, L.; Terndrup, T.; Weissfeld, L. A.; Yabes, J.; Angus, D. C.

研究方向