Snapshot of the Pack: KNIME workflows and associated data from Koch et. al., "Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0"

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Pack Details

Title KNIME workflows and associated data from Koch et. al., "Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0"
Items 4
Created by Thomas Duigou
Created at 17:26:00 on Thursday, 29 June 2017
Last updated at 10:19:21 on Tuesday, 19 December 2017

Description

The pack provides the KNIME workflows and associated data from:

Koch M, Duigou T, Carbonell P, Faulon JL. Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0. Journal of Cheminformatics , 9:64, 2017. https://doi.org/10.1186/s13321-017-0252-9

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