StructuralGenomicsConsortium / CNP12-Nsp15-TAMU

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https://docs.google.com/spreadsheets/d/1V8cX5bVjVRNazExtO6E8YCDZtm8nlSFoL-nHTYfqbeE/edit#gid=480688714
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Hits triage #1

Open qxsml opened 9 months ago

qxsml commented 9 months ago

Attempted hits triage at the very early stage of this project is based on the following principles:

Good dose response plot.

Possibility of analogue expansion.

No high potential aggregator.

Passed PAINS filters.

Available and Affordable.

Some online tools (free of charge) were used to assist with triage:

Stoplight

Swissadme

Liability

Aggregation Adivsor

Software such as "DataWarrior", and "ChemDraw" were also used.

A comprehensive and systematic triage guide provided by the UNC team can be found [here](https://openlabnotebooks.org/avidd-filters-compound-filtering-sop-for-hit-to-lead/)