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--- similaritysearch [2012/10/11 22:13] – created rkiss
+++ similaritysearch [2012/10/12 19:45] – rkiss
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-Similarity search can be particularly useful for finding close analogs for a reference ligand or an initial hit identified by biological screening (e.g. HTS (link)). Close analogs of actives are expected to show some activity (similarity paradigm) and they can be used to build an initial SAR (structure-activity relationship) around a scaffold.
+Similarity search can be particularly useful for finding close analogs for a reference ligand or an initial hit identified by biological screening (e.g. [[http://en.wikipedia.org/wiki/High-throughput_screening|HTS]]). Close analogs of actives are expected to show some activity (similarity paradigm) and they can be used to build an initial [[http://en.wikipedia.org/wiki/Structure_activity_relationship|SAR]] (structure-activity relationship) around a scaffold.
 ===== How to use =====
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-Descriptor
+=== Descriptor ===
 Mathematical representation of molecules used in the similarity/dissimilarity calculation. The OpenBabel Linear Fingerprint (referred to FP2 here (http://openbabel.org/wiki/Tutorial:Fingerprints)), and the Indigo Similarity Fingerprint (referred to sim here (http://ggasoftware.com/opensource/indigo/api#fingerprints)) can be selected.