Jihye Roh

Information Technology Institute — Egypt

Materials Science · Physical Sciences

3h-index51citations12works4.32yr avg
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Research Topics

Machine Learning in Materials Science(5), Computational Drug Discovery Methods(3), Protein Structure and Dynamics(2), Fault Detection and Control Systems(2), Power System Reliability and Maintenance(2)

Publications12 total

Quantifying the Failure Modes of Current One-step Retrosynthesis Models
2026Open Access
Data and Model for Quantifying the Failure Modes of Current One-step Retrosynthesis Models
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Data and Model for Quantifying the Failure Modes of Current One-step Retrosynthesis Models
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
ASKCOS: Open-Source, Data-Driven Synthesis Planning
Accounts of Chemical Research·2025· 27 cited
Higher-level Strategies for Computer-Aided Retrosynthesis
2025· 2 citedOpen Access
Higher-level Strategies for Computer-Aided Retrosynthesis
2025· 1 cited
ASKCOS: an open source software suite for synthesis planning
arXiv (Cornell University)·2025· 6 citedOpen Access
Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset
Angewandte Chemie·2024· 3 citedOpen Access
Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset
Angewandte Chemie International Edition·2024· 10 citedOpen Access
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
arXiv (Cornell University)·2024· 3 citedOpen Access
Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset
arXiv (Cornell University)·2024Open Access
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
2024

Frequent Co-authors

Zhengkai Tu(7), Mun Hong Fong(7), Joonyoung F. Joung(7), Connor W. Coley(7), Kevin Yu(4), John Bradshaw(3), Suong B. A. Tran(3), Sourabh J. Choure(2), Itai Levin(2), Nathan Morgan(2), Shih‐Cheng Li(2), Xiaoying Sun(2), Heshan Lin(2), Mark Murnin(2), Jordan P. Liles(2), Thomas J. Struble(2), Michael Fortunato(2), Mengjie Liu(2), William H. Green(2), Klavs F. Jensen(2)