SMILES

7:23 PM

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We learnt a new topic last week and the topic is about SMILES. What is SMILES? SMILES is short form for Simplified Molecular Input Line Entry System. It is used to translate a chemical's three-dimensional structure into a string of symbol that is easily understood by computer software. The purpose of SMILES is to translate the structure into a linear representation so that a computer program can understand the structure. We also learned how to name chemical structures using IUPAC format in detail.

The pictures below are SMILES Specification Rules- as in rules on how to convert the chemical compound structures into SMILES notation;





 

( slides credits to: Dr Azran)

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