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PsychedeliaDokholyan Laboratory
Plate XISandbox

Simulations

Simulatable

322

8 with a curated parameter

A model, not a measurement. Choose a compound, a dose and a route, and this computes what would follow if a table of pharmacokinetic parameters were right — most of which nobody has published, and all of which you can edit. The affinities underneath are real and the archive holds them; everything else is stated guesswork. The method.

I

Start here

These carry at least one published pharmacokinetic value, transcribed by hand with its source. The rest run on class priors alone.

314 more compounds — every one with a measured affinity can be simulated

II

What you are looking at

One measured quantity enters the calculation: the Kᵢ this archive holds for the compound at each target. How fast the dose is absorbed, how widely it distributes, how much crosses into the brain and how quickly receptors follow the plasma are parameters, and for most compounds nobody has published one. Those are filled with stated estimates, marked as estimates, and left editable.

An animated curve persuades in a way a table does not. Left on a dossier it would be the most trusted and least sourced thing on the site, so it lives here instead — and nothing computed in this section is read by any count, chart or dossier elsewhere.