tinyhumansai Compound Triage
A screen produces more hits than anybody can follow. The value of this pass is in what it removes and in the reasons it records for removing them.
When to use
- A screen or virtual screen returns a hit list.
- A series has to be narrowed before it goes to the bench.
Steps
- Read
experimentsfor what has been tried. Re-testing a compound already found to be an assay artefact is the commonest waste in discovery and it is entirely preventable. - Remove the known artefacts first — aggregators, reactive groups, assay-interference chemotypes. Removed with the reason, not silently.
- Check the properties that decide developability, not just potency. A potent compound with no viable route to exposure is a paper, not a candidate.
- Look for series, not singletons. A structure-activity relationship across several related compounds is evidence; a single potent hit is a lottery ticket.
- State what would confirm each survivor, and what a human would have to do at the bench to get it.
- Record the drops. Every removed compound gets a reason on
experimentsor the program row, because the next screen will surface it again.
Output
A short ranked list with what would confirm each one, and an explicit record of what was dropped and why. Nothing here asserts activity in a person; that needs wet results and the people qualified to read them.