Robert S. Paton
- GoodVibes: automated thermochemistry for heterogeneous computational chemistry data
2020/04/24 by Guilian Luchini, Juan V. Alegre‐Requena, Ignacio Funes‐Ardoiz +1 · 10 citations
Chemical Engineering · Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Various Chemistry Research Topics
- Designing solvent systems using self-evolving solubility databases and graph neural networks
2023/12/08 by Yeonjoon Kim, Hojin Jung, Sabari Kumar +2 · 1 voice · 1 citation
Computer Science · Engineering · Materials Science · #Computational Drug Discovery Methods #Crystallization and Solubility Studies #Process Optimization and Integration
- Molecular Complexity-Inspired Synthetic Strategies toward the Calyciphylline A-Type Daphniphyllum Alkaloids Himalensine A and Daphenylline
2024/11/20 by Brandon A. Wright, Taku Okada, Alessio Regni +7 · 1 voice · 1 citation
Chemistry · #Advanced Synthetic Organic Chemistry #Asymmetric Hydrogenation and Catalysis #Chemical synthesis and alkaloids
- Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
2020/05/11 by Peter C. St. John, Yanfei Guan, Yeonjoon Kim +2 · 1 citation
Chemistry · Computer Science · #Chemical Thermodynamics and Molecular Structure #Computational Drug Discovery Methods #Free Radicals and Antioxidants
- Fundamental principles of epidemic spread highlight the immediate need for large-scale serological surveys to assess the stage of the SARS-CoV-2 epidemic
2020/03/26 by José Lourenço, Robert S. Paton, Craig Thompson +2 · 1 voice · 1 citation
Economics, Econometrics and Finance · Mathematics · Medicine · #COVID-19 Pandemic Impacts #COVID-19 epidemiological studies #SARS-CoV-2 and COVID-19 Research