Springer Publishing

Wednesday, 15 July 2015

Turning spiroketals into teddy bears

In Tim Burton's film The Nightmare Before Christmas, there is a scene where the Oogie Boogie Man, upon his demise, splits open at the seams and out spill thousands of worms. Besides taxidermy, the Oogie Boogie Man is the only thing I thought of when I saw this graphical abstract on Twitter:

Wednesday, 24 June 2015

SMILES notation: The Functional SMILES Perspective

SMILES Perspectives

SMILES notation is so much fun to play with! Another reason why SMILES is an appropriate acronym. Because SMILES is a graph/connectivity language in string format, there are many ways to enumerate bond paths and subgraphs in molecules.

Wednesday, 20 May 2015

Chemical notations - working list

The following is a working list of chemical notations used in chemistry. It does not contain most commercial formats (SDF, MOL, Gaussian, XYZ, etc...) but instead focuses on formats which more linear and human-readable (i.e. not heavily based on coordinates).

Saturday, 11 April 2015

Chemicals in Canadian Law

Save the following data as .csv, or when importing into data software, use "," delimited. Next, replace all "(COMMA)" strings with a "," character as needed (especially when searching websites).

The R code outlining this action is below. You need to insert your own text where it says string or apply it to a character vector containing strings.