From known chemical space to unannotated metabolites: a cluster-guided retention-time driven framework for biologically informed annotation
Dipendra Bhandari, Henry A Paz, Keith Henderson, Kiran Kumar Adepu, Ahmad Mani-Varnosfaderani, Hailemariam Abrha Assress, Brian D Piccolo, Renny S Lan, Elisabet Børsheim, Colin D Kay, Sree V Chintapalli · 2026
Read From known chemical space to unannotated metabolites: a cluster-guided retention-time driven framework for biologically informed annotation by Dipendra Bhandari, Henry A Paz, Keith Henderson, Kiran Kumar Adepu, Ahmad Mani-Varnosfaderani, Hailemariam Abrha Assress, Brian D Piccolo, Renny S Lan, Elisabet Børsheim, Colin D Kay, Sree V Chintapalli (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-13518442.txt.
Description
Dipendra Bhandari and a team of co-authors build a way to name unknown chemicals in blood, in a paper dated twenty twenty-six. Untargeted scans leave many compounds unnamed, a dark zone that blocks insight. Their test data came from pregnant women with obesity.
First they grouped 1,021 known compounds into ten shape-based families. Then they matched unknown signals against a huge public library by weight and formula. Shape likeness and tube travel time cut the pool step by step. The funnel ended with 418 strong name candidates for lab follow-up.
Catalog record
| CREATOR | Dipendra Bhandari, Henry A Paz, Keith Henderson, Kiran Kumar Adepu, Ahmad Mani-Varnosfaderani, Hailemariam Abrha Assress, Brian D Piccolo, Renny S Lan, Elisabet Børsheim, Colin D Kay, Sree V Chintapalli |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 69 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |