Snapshot of the Pack: Pack #1 - Isomer enumeration (canonical augmentation algorithm)

Downloaded from myExperiment website

Snapshot generated at 21:44:45 on Sunday, 29 June 2025

Pack Details

Title Pack #1 - Isomer enumeration (canonical augmentation algorithm)
Items 2
Created by Thomas Duigou
Created at 16:29:21 on Friday, 30 June 2017
Last updated at 10:20:58 on Tuesday, 19 December 2017

Description

This pack provides part of the supporting material for:

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

The pack contains the (i) RetroPath2.0-Mods-isomer-augmentation worklfow as well as (ii) the associated data for the enumeration of isomers using the canonical augmentation algorithm (see the main text for details, section 2.1 "Isomer enumeration").


Summary of Pack Items (2)


Downloaded Items (2)


Not Downloaded Items (0)

Packs within this pack (0)

None

External items (0)

None

Items that can be viewed, but not downloaded (0)

None

Items that cannot be viewed (0)

None