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--- diversity_selection [2012/07/02 20:43] – [Advanced options] rkiss
+++ diversity_selection [2012/07/02 20:50] – [Algorithm] rkiss
@@ Line 32: / Line 32: @@
 ==== Default options ====
-The default descriptor used is the linear fingerprint implemented in Open Babel ((Open Babel v2.3.90 http://openbabel.sourceforge.net/)), which is similar to Daylight’s fingerprint and Chemaxon’s linear fingerprint, and the Tanimoto coefficient is calculated as the similarity of fingerprints.
+The default descriptor used is the linear fingerprint implemented in OpenBabel ((Open Babel v2.3.90 http://openbabel.sourceforge.net/)), which is similar to Daylight’s fingerprint and ChemAxon’s ((http://www.chemaxon.com/jchem/doc/user/fingerprint.html)) linear fingerprint, and the Tanimoto coefficient is calculated as the similarity of fingerprints.
-If you have no suggestions to use another setup, you can rely on our choices. After implementation and evaluation of new fingerprints and metrics, the default setup can be changed. This can be tracked at the end of this document, in the Changelog section.
 ==== Algorithm ====
-We use an optimized implementation of the stepwise elimination algorithm((R. J. Taylor, J. Chem. Inf. Comput. Sci., 1995, 35, 59 67.)), which can be described as follows:
+We use an optimized implementation of the stepwise elimination algorithm((R. J. Taylor, J. Chem. Inf. Comput. Sci., 1995, 35, 59-67.)), which can be described as follows:
   - calculate the similarity matrix of the molecules in the input collection