13 April 2013
From the natural product likeness scorer paper:
The natural product likeness scorer implemented by Peter Ertl [1] was originally devised to screen large compound libraries for natural product likeness in drug designing studies. His work is re-implemented using open source and open data to validate natural product likeness of theoretical metabolite structures in computer assisted structure elucidation.
And its now included in ChemicalToolBoX.
It's Java based. So fire up your Java Virtual Machine on your server and install it via the toolshed.
| [1] | http://peter-ertl.com/reprints/Ertl-JCIM-48-68-2008.pdf |
DOI: 10.1021/ci700286x
Donec libero libero, bibendum non condimentum ac, ullamcorper at sapien.\ Duis feugiat urna vel justo cursus facilisis. Vivamus ligula dui, convalli\ s a varius vitae, facilisis eget magna.