SMILES Arbitrary Target Specification SMARTS

Smiles ARbitrary Target Specification (SMARTS). Daylight Chemical Information Systems, Mission Viejo, CA, http // www.daylight.com/dayhtml/doc/theory/ theory, smarts. html. 

SMILES Arbitrary Target Specification (SMARTS) is an extension to the SMILES linear notation developed for specifying qneries in snbstrncture searches. 

A descriptor center finally consists of a structural part (e.g., atom, multiple similar atoms, pseudoatoms, fragments) and a property. To define this structural part efficiently, the line notation SLang is used, which is similar to simplified molecular input line enky specification (SMILES) and SMILES arbitrary target specification (SMARTS) [12]. Examples for structural parts and their representations in SLang are as follows ... 

The column named smarts contains the SMiles ARbitrary Target Specification (SMARTS) pattern defining the fragment. The column named... 

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. 

This function takes a SMILES and a SMiles ARbitrary Target Specifications (SMARTS). The SMARTS is used to locate a substructure within the SMILES and color the atoms that are matched. 

Like Molfile, SMILES is a member of a whole family of related formats. The other members are SMARTS (SMiles ARbitrary Target Specification) for description of structural patterns and SMIRKS for description of chemical transformations. Of these, SMILES is by far the most commonly used. 

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