RESEARCH PAPER · Chemistry - Methods · 2023
Reaction Impurity Prediction using a Data Mining Approach**
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AI-assisted chemical reaction impurity prediction and propagation
ChemRxiv · 2022-09-22
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ChemRxiv · 2022-12-11
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ChemRxiv · 2023-08-30
Daniel S. Wigh, Joe Arrowsmith, Alexander Pomberger, Kobi Felton, Alexei A. Lapkin
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ChemSusChem · 2023-10-04
Thuy Trang Pham, Zhen Guo, Bing Li, Alexei A. Lapkin, Ning Yan
Read original paper ↗ ·Completing Partial Reaction Equations with Rule and Language Model-based Methods
Computer-aided chemical engineering/Computer aided chemical engineering · 2024-01-01
Matthijs van Wijngaarden, Gabriel Vogel, Jana M. Weber
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Materials · 2024-02-27
Fernando Gomes de Souza, Shekhar Bhansali, Kaushik Pal, Fabíola da Silveira Maranhão, Marcella Santos Oliveira, Viviane Silva Valladão, Daniele Silvéria Brandão e Silva, Gabriel Bezerra Silva
Read original paper ↗ ·Completing and Balancing Database Excerpted Chemical Reactions with a Hybrid Mechanistic-Machine Learning Approach
ACS Omega · 2024-04-10
Chonghuan Zhang, Adarsh Arun, Alexei A. Lapkin
Read original paper ↗ ·Machine Learning and Autonomous Systems for Accelerated Synthesis
Annual Review of Analytical Chemistry · 2026-02-10
Matthew A. McDonald, Klavs F. Jensen
Read original paper ↗ ·Artificial intelligence in impurity prediction: current landscape, challenges, and future directions
Journal of Computer-Aided Molecular Design · 2026-07-23
Shreehari Thombre, Chandrakant G. Bonde, Ritesh P. Bhole, Jineetkumar Gawad, Pawan N. Karwa
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