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 SMILES | Isomeric 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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