The affinity propagation algorithm takes as input a set of pairwise similarities among compound fingerprints, considering them as potential representative compounds (exemplars). The clusters and their corresponding representative compounds are calculated by exchanging messages between data points until a maximization process converge. Thus, exemplars for each cluster are proposed to the researcher for further investigation. • Step 1. Please, Upload files* in ".sdf", ".mol", or binary fingerptint in ".txt" format.
• Step 2. Please, Select Distance Parametres.
• Final Step.
*After the next successful execution your downloadable file links will be: 1. SDF with exemplar compounds: http://chembioserver.vi-seem.eu/upload/72kNvIANZB_exemplars.sdf*Results are stored for a week.
Launched on Dec 30th, 2011 Updated on Sep 27th, 2019