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Supplementary Information for Manuscript "Bioturbo Similarity Searching: Combining Chemical and Biological Similarity to Discover Structurally Diverse Bioactive Molecules"

Wassermann, Anne and Lounkine, Eugen and Glick, Meir (2013) Supplementary Information for Manuscript "Bioturbo Similarity Searching: Combining Chemical and Biological Similarity to Discover Structurally Diverse Bioactive Molecules". Journal of Chemical Information and Modeling, 53 (3). pp. 692-703. ISSN 1549-95961549-960X

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HTSFP_matrix_molregnosChEMBL.txt.gz - Published Version

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Abstract

A matrix reporting pairwise HTS-FP similarities (frequency scores) for a compound set taken from the ChEMBL databank is given. Similarity values are reported as integers and must be multiplied by 1E-6 to yield the similarity values reported in the manuscript. For matrix cells that are blank, similarities between the corresponding compounds could not be calculated because they shared less than three assays.

Item Type: Article
Date Deposited: 13 Oct 2015 13:13
Last Modified: 03 Aug 2016 10:19
URI: https://oak.novartis.com/id/eprint/9558

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