Tuesday 29 October 2013

Smiles

Yes ! today we are going to learn about how to smile . ready enough ??
here we GO !

hehehe. we are not trying to flirting with you guys anyway. lets get down to business. be serious people ?



Simplified Molecular-Input Line-Entry System


yupp ! now this is the real SMILES we are talking about.
SMILES


*is a specification in form of a line notation for describing the structure of chemical molecules using   short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
*Widely used AND computationally efficient
*Uses atomic symbols and a set of intuitive rules
*Uses hydrogen-suppressed molecular graphs (HSMG)




Types Of SMILES


Canonical SMILESIsomeric SMILES
refers to the version of the SMILES specification that includes rules for ensuring that each distinct chemical molecule has a single unique SMILES representation refers to the version of the SMILES specification that includes extensions to support the specification of isotopes, chirality, and configuration about double bonds 

not enough info for you ? waaa..u can dig more from HERE ! ;)

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