{"doi":"10.56530/lcgc.na.xm8779p2","title":"Algorithms and Databases: Unlocking Non-Targeted Screening of Small Molecules with Ambient Ionization Mass Spectrometry","abstract":"Almost all sectors of analytical chemistry are finding applications for ambient ionization mass spectrometry (AI–MS) because of its ease of use, speed of analysis, and sensitivity. Although emphasis has been placed on developing new hardware that can help analyze unique samples across various applications, there has not been much innovation in the functionality of software tools and mass spectral libraries to support applications like non-targeted searching. In this article, we discuss new algorithms and libraries that have enabled non-targeted analysis of small molecules using AI–MS, as well as some of the key considerations and outstanding questions in the field.","journal":"LCGC North America","year":2022,"id":313980,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9563,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2022-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1012629,"name":"Edward Sisco","orcid":"0000-0003-0252-1910","position":0,"is_corresponding":true}],"reference_count":16,"raw_metadata":null,"created_at":"2026-07-19T00:33:48.490749Z","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":[]}