Molecule retrieval from MS/MS spectrum (bonus chemical formulae) on MassSpecGym

8개 결과 · ⬇ CSV · JSON

Hit rate @ 1

Rank	Model	Hit rate @ 1	Hit rate @ 5	Hit rate @ 20	MCES @ 1	Extra Training Data	Paper	Code	Year
1	JESTR	11.85	32.95	61.46	–	✓	JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data		2024
2	JESTR_NR	11.82	33.48	61.46	–		JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data		2024
3	ESP	11.05	27.42	52.20	–		JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data		2024
4	MIST	9.57	22.11	41.12	12.75		MassSpecGym: A benchmark for the discovery and identification of molecules	pluskal-lab/massspecgym	2024
5	DeepSets + Fourier features	6.56	16.46	33.46	14.14		MassSpecGym: A benchmark for the discovery and identification of molecules	pluskal-lab/massspecgym	2024
6	Fingerprint FFN	5.09	14.69	31.97	14.94		MassSpecGym: A benchmark for the discovery and identification of molecules	pluskal-lab/massspecgym	2024
7	DeepSets	4.42	14.46	30.76	15.04		MassSpecGym: A benchmark for the discovery and identification of molecules	pluskal-lab/massspecgym	2024
8	Random	3.06	11.35	27.74	13.87		MassSpecGym: A benchmark for the discovery and identification of molecules	pluskal-lab/massspecgym	2024