Springer Publishing

Friday, 8 May 2015

BOOK REVIEW: Electronic Properties of Aromatic and Heterocyclic Molecules - T. E. Peacock

Electronic Properties of Aromatic and Heterocyclic Molecules (Theoretical Chemistry: A Series of Monographs, Volume 1)Electronic Properties of Aromatic and Heterocyclic Molecules by T. E. Peacock
My rating: 4 of 5 stars

Heterocyclic organic molecules are a very interesting class theoretically and this little book maintains a focus on that class.

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.

Friday, 21 November 2014

Chemical isomer enumeration and structural databases

ENUMERATION of ISOMERS

EnuMol (Enumerating Molecular Structures)
Returns SMILES list of structures; enumerates molecules containing C,H,O,N and benzene ring
http://sunflower.kuicr.kyoto-u.ac.jp/tools/enumol2/


MOLGEN
http://molgen.de/?src=documents/molgenonline

Thursday, 16 October 2014

Gellish English 2008 FREE download

Gellish English contains a structured, machine-readable dictionary with extensive technical and scientific vocabulary. Below are the links to download the 2008 versions for FREE.