MolDeTox: leaderboard
Large Language Models (LLMs) and Vision Language Models (VLMs) have recently shown promising capabilities in various scientific domain. In particular, these advances have opened new opportunities in drug discovery, where the ability to understand and modify molecular structures is critical for optimizing drug properties such as efficacy and toxicity. However, existing models and benchmarks often o
Metric: Acc.(%) (self-reported). Source: benchmarklist.com. Saturation forecast: Around June 2027. 18 models tracked.
Top models
| # | Model | Score | Overall rank |
|---|---|---|---|
| 1 | GPT-5.2 | 4 | #110 |
| 2 | GPT-4o | 1.98 | #343 |
| 3 | Gemma 3 27B | 1.55 | #607 |
| 4 | Qwen 3 VL 8B Instruct | 0.5 | #420 |
| 5 | Gemini 3.1 Flash Lite | 0.43 | #191 |
| 6 | Qwen 3 8B | 0.4 | #674 |
No result here: #3 Claude Opus 5.5, #6 GPT-6 Astra, #7 GPT-6.1 Sol.
Interactive version: theaggregate.ai/benchmark?slug=moldetox · How It Works · Data refreshed daily, snapshot 2026-10-20.