Stable simulations do not guarantee functional engagement: a case study of off-target prediction for Seladelpar and Zanamivir
Rachel Kemp, Thomas J. Kean, Kirill E. Medvedev · 2026
Read Stable simulations do not guarantee functional engagement: a case study of off-target prediction for Seladelpar and Zanamivir by Rachel Kemp, Thomas J. Kean, Kirill E. Medvedev (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-13541830.txt.
Description
Rachel Kemp, Thomas J Kean, and Kirill E Medvedev test if calm sim runs prove a drug truly grips a side target in a 2026 case study. Side grips of passed drugs can warn of harms and hint at new uses. Pipe tools that blend kin maps, form calls, and sim runs hunt such grips at scale.
Two passed drugs form the test pair for the pipe in this work. Kin maps pick side picks, twin form models frame each pair, and sim runs grade their stead. Rank by like-ness to the true grip's run sets the list.
Catalog record
| CREATOR | Rachel Kemp, Thomas J. Kean, Kirill E. Medvedev |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 60 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |