about 1 year ago - No comments
Result Overview: Network name: D:\drugdatasetinput.txt Network type: Directed Number of nodes: 121320 Number of edges: 434800 Number of single edges: 307859 Number of mutual edges: 126941 Algorithm: enumeration Subgraph size: 3 Generated 1000 random networks with locally constant number of bidirectional edges, 3 exchanges per edge and 3 tries per edge. 172022813 subgraphs were enumerated
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FANMOD Size 3 Subgraph (100,000 Samples, 100 Random Network) Approximate number of subgraphs: 265326840 (based on 100000 samples) 172022813 subgraphs were enumerated in the original network. Result File Size 6 Subgraph (100,000 Samples, 100 Random Network) Approximate number of subgraphs: 9365924517517080 (based on 100000 samples) MFINDER1.2 3 (Default Settings) – 6 (Default Settings) -
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Overrepresented drugs within the motifs identified: Motif A Type Drug1 Only [File] Drug2 Only [File] Either Drug1 or Drug2 [File] Motif B Type Drug [File] Motif C Type Drug [File]
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Motif A (Chlorpromazine): There are 86 Edges and 76 Nodes in total in the neighbourhood for this motif. (162) The similarity between the compound Chlorpromazine and Trimeprazine has a 0.85 Tanimoto co-efficient. There are 60 other compounds that bind to the H1 Histamine Receptor. Chlorpomazine has 3 other similar drugs. (Tanimoto is 0.85 for all)
about 1 year ago - No comments
4842 – Drugs 3500 – Targets 10743 – bi_to 274607 – h_s_s With this information how likely/often will a motif appear in the dataset. ONDEXView hss = graph.getRelationsOfRelationType(graph.getMetaData().getRelationType(“h_s_s”)); int j = 0; for (ONDEXRelation r : hss) { ONDEXConcept to = r.getToConcept(); ONDEXConcept from = r.getFromConcept(); if (to.getOfType().getId().equals(“Protein”) && from.getOfType().getId().equals(“Protein”)) { j++; } } System.out.println(“hss
