Daylight Worksheet - Becoming SMART(er)!...SHOW HINTS (ANSWERS)!

SMARTS (SMILES Arbitrary Target Specification)

1. Write SMARTS for the descriptions given below. To see an individual answer select the highlighted text.
   • Aliphatic carbon attached to Oxygen with any bond
   • Non-ring atoms
   • acylic-bonds
   • Any carbon attached to any halogen
   • H-bond donor
   • H-Bond acceptor
   • H-bond acceptor two aromatic atoms away from an H-bond donor
   • Any aliphatic atom single-bonded to any carbon which isn't a trifluromethyl carbon

   Some helps:

   SMARTS atomic primitives
   SMARTS bond primitives
   SMARTS boolean operators
   

2. Generate and view a postscript file which contains the structures from the dataset "day1.smi" with atoms in a ring system highlighted.
   • List prado options

     prado -options

   • prado -PRINT_LINEWIDTH EXTRAWIDE -PRINT_SMARTS '[R1]' day1.smi | pageview