sMiLE-keEp smiLiNg

SMILE - Simplified molecular input line entry specification

The simplified molecular input line entry specification or SMILES is a specification for unambiguously 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
+ SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules

Graph-based definition
+ In terms of a graph-based computational procedure, SMILES is a string obtained by printing the
symbol nodes encountered in a depth-first tree traversal of a chemical graph
+ The chemical graph is first trimmed to remove hydrogen atoms and cycles are broken to turn it into a spanning tree
+ Where cycles have been broken, numeric suffix labels are included to indicate the connected nodes
+ Parentheses are used to indicate points of branching on the tree

SMILES Bonds
+ SINGLE
+ DOUBLE
+ TRIPLE
+ AROMATIC

SMILES Branches
+ Represented by enclosure in parentheses
+ Can be nested or stacked
Examples:
CC(O)CC is 2-Butanol
OCC(C)C is iso-Butanol
OC(C)(C)C is tert-Butanol

Another Application
SMILESCAS Database
Over 103,000 SMILES notations
Input CAS Registry Number
Leads to SMILES and thence to a structure search

pessimist vs optimist ; goOd Or bad

i find pessimist to be, if not exactly pleasant, then at least sincere. you always know what a pessimist is thinking, and if you don't he will likely tell you anyway. the optimist, on the other hand, has always struct me as an imposter, walking around with her nose towards the heavens as if she inhabited a better world than you and me, a land of warm green meadows where the sun always shines and there is never drought because of it. not only that but the optimist is forever hypocritacally critizing your negativity as though it were some kind of birth defect. the pessimist does not go around saying "quit being so dadgum happy!" or "stop that smiling will you!". but the optimist has no problem trying to change you natural disposition. "smile!" she snaps. "quit being so pessimistic!". it may also be that i associated the optmist with the affected cheerfulness of the politician angling for votes or faux-friendly, chirply male or female who goes into public relations, used car sales and telemarketing. and anyone who has spent any amount of time with one of these phonies can testify that once off the clock they morph into the most cynical, black-hearted in the land.

The Protein Data Bank (PDB)

The Protein Data Bank (PDB) is a repository for the 3-D structural data of large biological molecules, such as proteins and nucleic acids. The data, typically obtained by X-ray crystallography or NMR spectroscopy and submitted by biologists and biochemists from around the world, can be accessed at no charge on the internet. The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB.
The PDB is a key resource in areas of structural biology, such as structural genomics. Most major scientific journals, and some funding agencies, such as the NIH in the USA, now require scientists to submit their structure data to the PDB. If the contents of the PDB are thought of as primary data, then there are hundreds of derived (i.e., secondary) databases that categorize the data differently. For example, both SCOP and CATH categorize structures according to type of structure and assumed evolutionary relations; GO categorize structures based on genes...

miCrOsOft ExCEL & mE

what is microsoft excel?

Microsoft Excel (full name Microsoft Office Excel) is a spreadsheet-application written and distributed by Microsoft for Microsoft Windows and Mac OS X. It features calculation, graphing tools, pivot tables and a macro programming language called VBA (Visual Basic for Applications). It has been the most widely used spreadsheet application available for these platforms since version 5 in 1993[citation needed]. Excel is part of Microsoft Office.

today class ; madam give tutorial. she said,we have to finish it in the class..i thought, it is easy because i have learnt it before..but,as ussual,i drink too many water that having some ants inside it (direct translation:minum air banyak semut) make me forgot everything..hahaha..well,could not finish it on time..sory madam..;p..but..this is all the assignment..after fews hours,finally,i can make it..
hohoho~~~

i LoVe cHEm sKEtch~

on weds,as ussual having KOS1110 class..
today's learning = chem sketch..

need more practise..
need more time to understand..
need lots of patient..:)

thank you madam..