The generalization test (fire the head over all 8.8k molecules, count hits that were NOT in its training set) exposed that tingling was memorizing: trained only on Zanthoxylum sanshools it produced 0 novel hits — a lookup table wearing a 1.00 AUROC.
Broadening the positives with paresthesia amides from other genera (Echinacea tetraenoic isobutylamides, Anacyclus, Heliopsis, Piper — deliberately varied chain lengths and unsaturation) took it from 11 to 18 positives and 0 → 2 novel hits (one of them piperine). Real generalization, but a thin margin, and still the weakest of the five:
| head |
fires |
trained |
novel |
| cooling |
32 |
14 |
16 |
| pungent |
24 |
12 |
12 |
| warming |
21 |
12 |
9 |
| astringent |
19 |
11 |
8 |
| tingling |
16 |
18 |
2 |
Next steps to consider: more structurally-varied public paresthesia amides (further Echinacea/Acmella/Zanthoxylum species, synthetic tingle agents with food clearance); check whether the physicochemical block is even helping here vs a pure fingerprint; and consider whether a shared alkylamide structural feature would let tingling borrow signal from the pungent/warming amides. Documented as a known limitation in docs/MOUTHFEEL.md.
The generalization test (fire the head over all 8.8k molecules, count hits that were NOT in its training set) exposed that
tinglingwas memorizing: trained only on Zanthoxylum sanshools it produced 0 novel hits — a lookup table wearing a 1.00 AUROC.Broadening the positives with paresthesia amides from other genera (Echinacea tetraenoic isobutylamides, Anacyclus, Heliopsis, Piper — deliberately varied chain lengths and unsaturation) took it from 11 to 18 positives and 0 → 2 novel hits (one of them piperine). Real generalization, but a thin margin, and still the weakest of the five:
Next steps to consider: more structurally-varied public paresthesia amides (further Echinacea/Acmella/Zanthoxylum species, synthetic tingle agents with food clearance); check whether the physicochemical block is even helping here vs a pure fingerprint; and consider whether a shared
alkylamidestructural feature would let tingling borrow signal from the pungent/warming amides. Documented as a known limitation indocs/MOUTHFEEL.md.