As a chemist reaction prediction has always been of interest, and I’ve been following the series of articles by Alex Clark with interest. There are now 10 chapters covering many aspects of reaction prediction. This will be an invaluable and comprehensive resource for those working in the area.
- Chapter 1: predicting catalysts
- Chapter 2: predicting solvents
- Chapter 3: prediction confidence
- Chapter 4: byproducts, mapping, stoichiometry and roles
- Chapter 5: literature lookup
- Chapter 6: yield contours
- Chapter 7: forward/backward synthesis and reagents
- Chapter 8: aligned depiction
- Chapter 9: component based reaction editing
- Chapter 10: training data