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What are the differences between OpenEye (OEChem) SMARTS and Daylight SMARTS?

April 26, 2017daylight differences oechem openeye smarts

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What are the differences between OpenEye (OEChem) SMARTS and Daylight SMARTS?

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Upcarat indicates the hybridization: ^3 means SP3, ^2 means SP2. This feature is used in the OMEGA torlib.txt file. Another difference is the semantics of primitive [R], which in Daylight means number of SSSR rings an atom is in. In OEChem, this means the number of ring bonds (e.g., benzene atoms are all [R2]), while [R]) means any non-zero number of ringbonds. This discrepancy is unfortunate but based on the weakness of SSSR (as explained in the OEChem manual.