SMILE ALWAYS, IT IS SMILES NOTATION!!

SMILES is an acronym for Simplified Molecular Input Line Entry System. It is a chemical notation system used to represent a molecular structure by a linear string of symbols. The SMILES notation system was specifically designed for computer use by chemists. 

Atoms

Atoms are represented by their atomic symbols.

C is carbon N is nitrogen S is sulfur F is fluorine I is iodine P is phosphorus O is oxygen Cl is chlorine 

The hydrogen atom are not include in smiles notation. Hydrogen attachments are determined by the program. This greatly simplifies a SMILES notation.

Compound    Molecular Formula    SMILES Notation




Ethylene            CH2=CH2                    C=C


Propylene        CH2=CH-CH3                C=CC

2-Butene       CH3-CH=CH-CH3            CC=CC

Bond

Single bonds do not need to be shown

Compound    Molecular Formula    SMILES Notation



Propane          CH3-CH2-CH3              CCC

Butane         CH3-CH2-CH2-CH3        CCCC




Branches

Branches in molecular structures are designated by enclosures in parentheses. The examples of SMILES given in the lists above represent straight, linear compounds. When a structure contains a branch, the SMILES Notation of the structure requires that the branch be designated in enclosed parentheses. The figure below illustrates branching.






A single structure can have more than one valid SMILES notation. As an example, valid SMILES notations for the isobutyric acid structure include the following:









CC(C)C(=O)O
C(C)(C)C(=O)O
OC(=O)C(C)C
O=C(O)C(C)C




Cyclic structure






(1) Cyclic structures require numbers to indicate where the ring starts and stops. The numbers 1 through 9 are used to indicate the starting and terminating atoms.




(2) The same number is used to indicate the starting and terminating atom for each ring. The starting and terminating atom must be connected to each other!




(3) Each number that is used (1, 2, 3, etc.) must appear twice and only twice in the entire smiles notation.




(4) Numbers are entered immediately following the atoms used to indicate the starting and terminating positions.




(5) A starting or terminating atom can be associated with two consecutive numbers. For example, naphthalene can be coded as: c12ccccc1cccc2. 








Here is some example about the structures and the notation to make you more understand. 

Unbranches chain	Propane CH3-CH2-CH3 CCC Ethylene CH2=CH2 C=C 2-Butene CH3-CH=CH-CH3 CC=CC
Branches chain
Cyclic structure

If you want to further your knowledge about this SMILES Notation. You can learn from here

 That's all from us. May what have we shown to you give u a better understanding. :)

Assalammualaikum w.b.t.

IT'S CHEMSKETCH!!

          Assalammualaikum w.b.t. Here once again we've met again. This time we want to tell you about something that is really interesting and its about Chemsketch. As for us  this also our first time being introduced to Chemsketch.
     
          Chemsketch is actually about software that allow us to draw chemical substances. There is a lot of other benefits that can we have from the Chemsketch. Sometime drawing by our own hand may have difficulties in the aspect of symmetry. Then Chemsketch also helps us in drawing and viewing structure in 2D and 3D. Chemsketch generate IUPAC systematics names for molecules of up to 50 atoms and 3 ring structure. We also can draw the chemical apparatus via this applications.
     
           All the drawings are easy IF you follow the step shown in the package when you download the Chemsketch software. You can download the Chemsketch in this link .

Here I want show you the chemical substace that I managed to draw.

1. a diagram of energy reaction
2.various types of orbital
3.vacuum distillation apparatus
4.a two-chain DNA strain
5.lipids and micelles

XML

               What is XML ?XML is a markup languange that defines a set of rules for encoding documents in a format that is both human-readable and machine-readable. is a markup language designed to give a great amount of flexibility in marking up and passing around arbitrary data. In the other word, it is called as Extensible Markup Language. XML is used to transport and to store data.

              XML is different from HTML which HTML describes the content of a Web page (mainly text and graphic images) only in terms of how it is to be displayed and interacted with. For example, the letter "p" placed within markup tags starts a new paragraph. XML describes the content in terms of what data is being described. For example, the word "phonenum" placed within markup tags could indicate that the data that followed was a phone number. The other different HTML uses <html> as the opening while XML use <note>. But don't worry because XML is simpler than HTML.

             To do the XML it must be started with <note> which I mentioned before or you can put any word that can be as a main thing. Then start to put description and the content and close the description. As example. <to>Jenny</to>. As i said the description is the one that have '< >' and the content is 'Jenny'. You can put any word that you want to describe the informations that you want to display.And at the end of it you must put </note>. But still XML does not do anything. It is just informations that wrapped in tags. You must have a piece of software to display, send or receive it.

This is an easy example about xml.:

<note>
<to>Tove</to>
<from>Jani</from>
<heading>Reminder</heading>
<body>Don't forget me this weekend!</body>
</note>

As you are getting more understand about the XML. This is the example of more complex XML.

Here are the differences between XML and HTML:

            

HTML	XML
To display data with focus on how data looks.	To transport and store data, with focus on what data is.
Case insensitive	Case sensitive
Presentation language	Neither programming language nor prensentation language.

To learn more about XML, here is the link . That's all from us which is the Imperius. Hope that you as reader can completely understands and applied it in your life. :) Assalammualaikum w.b.t.