{"doi":"10.1101/2023.05.29.542736","title":"METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning","abstract":"Abstract Imaging mass spectrometry is a powerful technology enabling spatial metabolomics, yet metabolites can be assigned only to a fraction of the data generated. METASPACE-ML is a machine learning-based approach addressing this challenge which incorporates new scores and computationally-efficient False Discovery Rate estimation. For training and evaluation, we use a comprehensive set of 1,710 datasets from 159 researchers from 47 labs encompassing both animal and plant-based datasets representing multiple spatial metabolomics contexts derived from the METASPACE knowledge base. Here we show that, METASPACE-ML outperforms its rule-based predecessor, exhibiting higher precision, increased throughput, and enhanced capability in identifying low-intensity and biologically-relevant metabolites.","journal":"bioRxiv (Cold Spring Harbor Laboratory)","year":2023,"id":390388,"datarank":0.5409540370225343,"base_score":2.4849066497880004,"endowment":2.4849066497880004,"self_citation_contribution":0.37273599746820013,"citation_network_contribution":0.16821803955433412,"self_endowment_contribution":0.37273599746820013,"citer_contribution":0.16821803955433412,"corpus_percentile":64.06745571284908,"corpus_rank":4646,"citation_count":11,"citer_count":7,"citers_with_citation_signal":7,"citers_with_endowment":7,"datacite_reuse_total":0,"is_dataset":true,"is_dataset_confidence":0.7741,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":356420,"name":"Lachlan Stuart","orcid":"0000-0002-8383-1103","position":1,"is_corresponding":false},{"id":1162160,"name":"Christopher M. Rath","orcid":"0000-0002-3513-1209","position":2,"is_corresponding":false},{"id":1162161,"name":"Bernhard Drotleff","orcid":"0000-0003-0914-6578","position":3,"is_corresponding":false},{"id":712546,"name":"S. R. Mamedov","orcid":null,"position":4,"is_corresponding":false},{"id":105897,"name":"Theodore Alexandrov","orcid":"0000-0001-9464-6125","position":5,"is_corresponding":false},{"id":1162159,"name":"Bishoy Wadie","orcid":"0000-0001-8692-1107","position":0,"is_corresponding":true}],"reference_count":18,"raw_metadata":null,"created_at":"2026-07-19T01:18:37.743462Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}