Future Science Group
Browse
1/1
3 files

Literature-based drug–drug similarity for drug repurposing: impact of Medical Subject Headings term refinement and hierarchical clustering - Supplementary Material

dataset
posted on 2022-08-26, 08:38 authored by Shyam Sundar Das, Pritish Ranjan, Ibrahim Roshan Kunnakkattu

supplementary material

  

Section 1: Drug list curation procedure

  

Section 2: Reference Drug cluster preparation based on ATC drug classification

  

Section 3: Misclassification Counting

  

Section 4: Cluster-wise summary of results obtained from various K-means Clustering Experiments

  

Section 5: Cluster-wise summary of results obtained from various Hierarchical Clustering Experiments


supplementary tables 


  Supplementary Table1: Description of the Classes and Sub-classes from the MeSH hierarchy which were considered for creation of the refined MeSH terms

  

Supplementary Table 2. Description of drugs which have been previously suggested for repurposing and could also be predicted using results of various in silico experiments conducted using k-means clustering

  

Supplementary Table 3.  Description of drugs which have been previously suggested for repurposing and could also be predicted using results of various in silico experiments conducted using hierarchical clustering

 Supplementary Table 4. Repurposing suggestion details - Glyburide 

  

Supplementary Table 5.  Repurposing suggestion details - Stanozolol

  

Supplementary Table 6.  Repurposing suggestion details - Rimexolone

  

Supplementary Table 7.  Repurposing suggestion details - Carbachol

  

Supplementary Table 8.  Repurposing suggestion details - Pilocarpine

  

Supplementary Table 9.  Repurposing suggestion details - Aminophylline

  

Supplementary Table 10.  Repurposing suggestion details - Theophylline


History

Usage metrics

    Future Medicinal Chemistry

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC