Daylight Summer School 2000, June 7-9, Santa Fe, NM

Daylight Worksheet - Transform basics 1.

react.cgi is a web interface which applies reaction transforms (SMIRKS) to molecules (SMILES). It is useful for learning how transforms work and testing new SMIRKS.

  1. Start react.cgi and press the help button. Several examples are shown. Another source of examples is SMIRKS FAQ and Examples.

  2. Try some of the example SMIRKS and SMILES. Then try to invent different SMILES which are also matched and transformed by the SMIRKS. Finally, try modifying a SMIRKS to achieve a desired result.

Daylight Chemical Information Systems Inc.