SpecX - Functional Group Inference (Experimental Spectra): leaderboard
Metric: Macro-F1 (0-1; 37 SMARTS functional-group labels, zero-shot from text-encoded experimental MS and UV-Vis spectra of the Exp subset, random split). Source: arxiv.org. Saturation forecast: Around February 2027. 3 models tracked.
Top models
| # | Model | Score |
|---|---|---|
| 1 | DeepSeek V3 | 0.34 |
| 2 | GPT-4.1 Mini | 0.34 |
Interactive version: theaggregate.ai/benchmark?slug=specx-functional-group-inference-experimental-spectra · How It Works · Data refreshed daily, snapshot 2026-09-26.