Clustering_of_Molecular_Compounds_with_BioDICE_Clustering_Visualization_ToolMOSS_minimum_support_focus00 For example, you could download: http://biolab.pa.icar.cnr.it/files/tools/biodice/101_example_focus.txt2014-01-09 11:28:02.995 CETA text file with a list of minimal support focuse values for MoSS, one for each line.2014-01-09 11:28:34.651 CETCompoundsList00 For example, you could download: http://biolab.pa.icar.cnr.it/files/tools/biodice/101_anticancer_drugs.txt2014-01-09 11:29:27.462 CETA text file with a list of molecular compound names (or Chemspider IDs), one for each line. 2014-01-09 11:29:19.573 CETMOSS_subMOSS_idsMOSS_warningsBioDICE_clustering_resultsA list of compound clusters.2014-01-09 11:31:52.45 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12:29:47.62 CET5a0db0b9-6258-426b-beb7-873b668cd2f92012-12-18 12:07:59.405 CET55d1d643-ddf6-4f07-82d7-ccdb4556aa862013-12-23 16:03:40.126 CETc9cf06aa-e7af-4799-a007-35e679fb04202013-04-11 15:35:21.457 CEST7d9b9cf9-5b61-457b-88d9-4ad76eef76662014-01-09 11:29:27.724 CET889ce345-6915-4178-a552-fba1d28b4a9b2012-12-18 12:15:35.289 CET3c210919-fe6a-417d-a70a-c9446dc5a8ee2013-04-11 14:45:57.217 CESTdaae9591-b8d4-414b-af0c-614b6b2f21742013-12-18 14:54:15.447 CETe58e7488-23ab-4893-9a95-b03d098a287d2013-05-03 14:39:11.613 CEST8598ab0d-ff2d-4ace-bb24-50cb6a6954862013-12-16 09:20:26.145 CETb75d8eac-ad02-415a-aa25-6ee51c6fbac42012-12-18 12:30:58.890 CETa522c126-23ce-426c-86ef-407ffceb22302012-12-18 16:48:59.537 CETd1e25d35-270a-47fe-bc26-a978d9e342272013-04-10 12:42:49.574 CESTeba06e49-40a1-4287-a6eb-0b7b7bd1c27f2012-12-18 12:10:47.910 CET25a6b815-4673-4bf4-b6df-add0c98c2e292013-05-28 14:54:26.247 CESTf130c171-55ee-41f3-ac85-1460ea4751b52013-12-23 13:10:39.18 CET7a26a548-bfb3-4311-9a39-d74056efed5e2012-12-19 11:24:27.916 CET0c212ab3-79cc-4f31-8b9f-3870792de9252012-12-18 17:51:23.75 CET81e714a0-c9ad-4724-8e3d-cfe21a9c1ec12013-04-10 12:39:41.855 CEST359295d8-7ac0-4867-ab6b-477c7092d93c2013-12-20 08:19:06.376 CETe1841fa8-e45b-4a29-8329-515625bcee492013-04-11 15:37:18.254 CESTThis workflow downloads an input set of molecular compounds in SMILES format, using Chemspider service. The most frequent molecular fragments are extracted by means of MoSS tool (see http://www.borgelt.net/moss.html) , in order to obtain a set of features for each compound. Then a clustering and a visual exploration of the input dataset is performed by BioDICE service (see http://biolab.pa.icar.cnr.it/biodice.html), implementing Fast Learning Self-Organized Map (FLSOM) algorithm. Finally the output is a list of compounds for each cluster. The workflow requires as input a text file with a list of compounds names (or Chemspider IDs) and a file with a list of MoSS minimal support focus values (see MoSS docuemntation http://www.borgelt.net/doc/moss/moss.html for a detailed description).2014-01-09 11:35:06.249 CETb7bab431-e3fa-4f8d-8c8b-674184186b3e2012-12-18 17:55:36.221 CETa489dc3e-0757-44a4-b0b0-c085d9a8cb332012-12-18 17:29:29.738 CET79f77719-d570-4ca4-87b8-028e95461b262013-04-11 14:54:54.529 CESTee0f566c-956b-4955-aa17-644cecb42fec2012-12-18 12:23:09.508 CETd19dc8a3-96c9-4884-ad01-441318f14f012012-12-19 11:12:49.107 CET8f0d3352-0ae0-414b-abaa-86dc2785d70f2012-12-18 12:12:21.451 CETClustering of Molecular Compounds with BioDICE Clustering Visualization Tool2014-01-09 11:35:18.224 CET2b58c88e-5f21-454f-ad86-bc3d7939fc602013-04-11 15:41:38.103 CEST93a6f165-0b7a-489a-b378-258b1401e14d2013-04-11 15:39:33.40 CEST22fdbbbe-fdf8-493f-94dc-34e04ec346962013-04-11 15:10:42.528 CESTb7242b2b-10a0-4309-a785-2ea0602de3c52012-12-18 12:53:42.336 CET1ddcbe38-5b2d-4d86-ae1f-a0d4d867dda22013-04-11 14:48:45.170 CESTf119b547-4053-4ff9-8684-8f2aeb11b0582013-04-11 14:54:01.451 CEST80aa4d80-7b3b-41c2-9b38-16e3ec897b6b2013-05-28 14:46:47.650 CEST8c542ea6-71aa-4af5-90f5-f99bb1e04d022012-12-18 16:44:41.257 CET9a863e3b-a0a7-4bd9-8f56-3aeda766baf12014-01-09 11:38:14.427 CETAntonino Fiannaca,
Massimo La Rosa2014-01-09 11:36:06.891 CET0be59461-68c4-4580-9386-971102038b692013-04-11 15:09:21.512 CESTfa702408-4afc-4e5c-bc51-9c50e207b8bb2013-12-13 11:54:22.805 CET3e2c2b78-8f7a-4952-af61-9cfbc58b8f052012-12-18 17:35:28.273 CET48c299b0-213d-4549-bd4d-067ecaa9ef8c2013-05-28 14:58:27.261 CEST7fecc999-cfa4-4e16-95dd-0b14c428cae52012-12-18 12:22:02.661 CET3bf43be7-b5cb-4e77-bd79-3f4b6319515b2013-12-13 11:47:26.232 CETf028be4a-3332-4a94-959d-8f852409416d2012-12-18 17:22:09.404 CETf6de9957-75e5-4ce0-959c-aa02da409c7c2012-12-18 12:28:43.341 CETf32ce13c-f2fa-4c12-ba8d-aaea39be4aff2013-12-09 12:58:45.737 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