Molecular Property Classification on Therapeutic Data Commons (TDC) Held-out benchmark leaderboard · SOTA2 Research

Molecular Property Classification on Therapeutic Data Commons (TDC) Held-out

0.576ClinToxBOLEK SMILES

Evaluation Results

Method	Links
BOLEK SMILES2026.05		0.576	0.531	0.865	0.693	0.659	0.597	0.762	0.474	0.578	0.566	0.584	0.509	0.627	0.548	0.461	0.602
BOLEK FP2026.05		0.561	0.571	0.79	0.725	0.64	0.628	0.767	0.598	0.62	0.575	0.626	0.504	0.647	0.543	0.567	0.624
Qwen3-4B-Instruct2026.05		0.554	0.505	0.622	0.533	0.523	0.466	0.647	0.504	0.583	0.5	0.561	0.59	0.6	0.492	0.594	0.552
TxGemma-9B-Chat2026.05		0.502	0.655	0.769	0.588	0.582	0.498	0.822	0.719	0.795	0.694	0.734	0.84	0.869	0.848	0.729	0.71