Finding  SMARTS Examples      

SMARTS...

•     Provides substructure searching.
  
•     Is related to SMILES.
  
•     Can be challenging to learn.
  
•     Theory Manual is a useful resource.
•     Examples would be helpful.
  

Examples...

•     Are from several sources.
  
•     Are assembled into one web page .
  
•     Can be demonstrated with depictmatch.cgi.
  

How to navigate:

• Javascript "Find in Page" located in uppermost Frame
  

          Show Find dialog       Pops up browser's Find dialog box.  
          Match case             Case sensitivity: default is case-insensitive
          Search up              Search from bottom to top: default is top-down
         

• Browser's Find Dialog Box
  

          In Netscape:
              -->Edit
              -->Find in Page...
         

• Use page's links to sections and subsections

Six main sections:

• Functional Groups by Element

The largest section. Includes seven subsections:


       C       alkane, alkene, alkyne, arene...
       C&O     carbonyl, ester, ketone, ether, amide...
       N       amine, amilo acids & side chains, azide, imine, imide... 
       O       hydroxol, alcohol, phenol, peroxide...
       P       phosphoric acids & esters...
       S       sulfide, sulfine, sulfinate, sulfone, sulfoxide, sulfate...
       X       halide, acyl halide
       

• Gross Structual Features

Includes six subsections:


       Chirality                  
       Orbital Configuration     
       Connectivity              
       Chains & Branching         
       Rotation                 
       Cyclic Features          
       

• Meta-SMARTS

Includes three subsections:


       Amino Acids 
       Recursive or Multiple 
       Tools & Tricks 
       

• Electron/Proton Transfer Features

Includes three subsections:


       Acids & Bases 
       Charge
       H-bond Donors & Acceptors
       

• Breakdown of Complex SMARTS

Includes two subsections:


       Amino Acid 
       Ester or Amide 
       

• Interesting Example SMARTS

•     Examples page continues to grow and improve.
•     Please contribute
  - New SMARTS
  - Novel variations of old SMARTS
  - Corrections to existing SMARTS