Table 2 Details of the three case studies representing the diversity of coordinate molecular data in supplementary material handled by ChemEngine
From: ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files
Entry | Case study | NÂ =Â molecules | Regular expression pattern | Format and delimiter |
|---|---|---|---|---|
1 | Epoxide formation from sulfur ylides and aldehydes | 29 | ^[A-Za-z0-9]{1,2}\\s+-{0,1}.{1,2}[0-9]{1,8}\\s+-{0,1}.{1,2}[0-9]{1,8}.{1,} | Space |
2 | Thiol ene click chemistry | 115 | ^[A-Za-z0-9]{1,2}\\s+-{0,1}.{1,2}[0-9]{1,8}\\s+-{0,1}.{1,2}[0-9]{1,8}.{1,} | Text Space |
3 | Design of tetra(arenediyl)bis(allyl) derivatives for cope rearrangement transition states | 55 | ^[A-Za-z0-9]{1,2}\\,[0]{0,1}[\\,]{0,1}-{0,1}.{1,2}[0-9]{1,10}\\,-{0,1}.{1,2}[0-9]{1,10}.{1,} | Comma |