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Compound database and subsets generated by the fragment network for stage 3 of the PHIP2 SAMPL7 Challenge
<p>The fragment network provides a convenient way to filter-out compounds that are dissimilar to the input hit(s). Overall, this search algorithm requires a compound input and 3 parameters: 1- the number of graph traversals (hops), 2- number of changes in heavy atom count (hac), 3- number of changes in ring atoms counts (rac). Please, read the reference (Hall, Murray and Verdonk, 2017) for the specifics of the methods.</p>
ShareScore
44/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 8
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 4