Research output per year
Research output per year
Personal profile
Research interests
Aiming to explore and accelerate the task of NMR structure elucidation through the implementation of machine learning with traditional computational methods.
Main areas of interest:
- AI & Machine learning
- Computational Chemistry
- High-throughput drug discovery
Keywords
- Machine Learning
- Data Science
- Computational and Theoretical Chemistry
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Research output
- 1 Article (Academic Journal)
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Prediction of 15N chemical shifts by machine learning
Gerrard, W., Yiu, C. & Butts, C. P., 18 Aug 2021, (E-pub ahead of print) In: Magnetic Resonance in Chemistry. (2021), SPECIAL ISSUE RESEARCH ARTICLE, 6 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile11 Citations (Scopus)86 Downloads (Pure)