SMIRKS table

The standardize function checks whether any smirks in the std smirks table, when used in the xform function, results in a modification of the input SMILES stored in NEW.smiles. If the xform function does return a transformed SMILES, then that transformed value is used in place of the value the user attempted to insert. Finally, the trigger is created using the standardized function to possibly modify any SMILE before inserting or updating a table. 

The std smirks table would contain the standard transformations. Chapter 9 shows a sample table of standard SMIRKS transformations. This table could be expanded at any time to include more standardizations as they become necessary without having to modify the trigger function to deal with these additions. 

It was not until we were both in the room with the table that either of us spoke. As before, Sciara wore black and a sardonic, cadaverous smirk. 

Samantha smirked since she knew her mother wasn t yelling at her. Her brother and sister frowned and pushed away from the table. They ran to get their mother who was walking towards the kitchen. 

The use of Simplified Molecular Input Line Entry System (SMILES) as a string representation of chemical structure makes possible much of what has been discussed in earlier chapters of this book. A chemical reaction could be represented as a collection of SMILES, some identified as reactants and some as products. It is possible to define a table to do this, or perhaps use some arrays of character data types, but a syntax extension of standard SMILES allows reaction to be expressed easily. SMIRKS is an extension of SMILES and SMiles ARbitrary Target Specification (SMARTS). It is used to represent chemical transformations. SMIRKS can also be used in a transformation function to combine SMILES reactants to produce SMILES products. 

Table 9.1 Example SMIRKS for SMILES Standardization Name SMIRKS...

It is possible to create a table containing many different SMIRKS and select the appropriate one by name. For example ... 

If the before-mentioned SMIRKS is stored in the smirks lib table, then the following SQL... 

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