{"id":"https://openalex.org/W4407021760","doi":"https://doi.org/10.1186/s13321-025-00961-1","title":"APBIO: bioactive profiling of air pollutants through inferred bioactivity signatures and prediction of novel target interactions","display_name":"APBIO: bioactive profiling of air pollutants through inferred bioactivity signatures and prediction of novel target interactions","publication_year":2025,"publication_date":"2025-01-31","ids":{"openalex":"https://openalex.org/W4407021760","doi":"https://doi.org/10.1186/s13321-025-00961-1","pmid":"https://pubmed.ncbi.nlm.nih.gov/39891207"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-025-00961-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-025-00961-1","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-00961-1","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-00961-1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035509473","display_name":"Eva Viesi","orcid":"https://orcid.org/0000-0002-6137-2479"},"institutions":[{"id":"https://openalex.org/I119439378","display_name":"University of Verona","ror":"https://ror.org/039bp8j42","country_code":"IT","type":"education","lineage":["https://openalex.org/I119439378"]},{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]},{"id":"https://openalex.org/I4210123346","display_name":"National Biodiversity Institute","ror":"https://ror.org/02s4dhq46","country_code":"CR","type":"nonprofit","lineage":["https://openalex.org/I4210123346"]}],"countries":["CR","ES","IT"],"is_corresponding":true,"raw_author_name":"Eva Viesi","raw_affiliation_strings":["Department of Computer Science, University of Verona, Verona, Italy. eva.viesi@univr.it","Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain. eva.viesi@univr.it","NBFC, National Biodiversity Future Center, Palermo, Italy. eva.viesi@univr.it","Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain","Department of Computer Science, University of Verona, Verona, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of Verona, Verona, Italy. eva.viesi@univr.it","institution_ids":["https://openalex.org/I119439378"]},{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain. eva.viesi@univr.it","institution_ids":["https://openalex.org/I4210122345"]},{"raw_affiliation_string":"NBFC, National Biodiversity Future Center, Palermo, Italy. eva.viesi@univr.it","institution_ids":["https://openalex.org/I4210123346"]},{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain","institution_ids":["https://openalex.org/I4210122345"]},{"raw_affiliation_string":"Department of Computer Science, University of Verona, Verona, Italy","institution_ids":["https://openalex.org/I119439378"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071626517","display_name":"Ugo Perricone","orcid":"https://orcid.org/0000-0002-2181-2468"},"institutions":[{"id":"https://openalex.org/I4210150906","display_name":"Ri.MED","ror":"https://ror.org/05qetrn02","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210150906"]},{"id":"https://openalex.org/I900890020","display_name":"University of Palermo","ror":"https://ror.org/044k9ta02","country_code":"IT","type":"education","lineage":["https://openalex.org/I900890020"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Ugo Perricone","raw_affiliation_strings":["Molecular Informatics Unit, Ri.MED Foundation, Palermo, Italy","NBFC, National Biodiversity Future Center, Palermo, Italy","Molecular Informatics Unit,  Ri.MED Foundation, Palermo, Italy"],"affiliations":[{"raw_affiliation_string":"Molecular Informatics Unit, Ri.MED Foundation, Palermo, Italy","institution_ids":["https://openalex.org/I4210150906"]},{"raw_affiliation_string":"NBFC, National Biodiversity Future Center, Palermo, Italy","institution_ids":["https://openalex.org/I900890020"]},{"raw_affiliation_string":"Molecular Informatics Unit,  Ri.MED Foundation, Palermo, Italy","institution_ids":["https://openalex.org/I4210150906"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015088787","display_name":"Patrick Aloy","orcid":"https://orcid.org/0000-0002-3557-0236"},"institutions":[{"id":"https://openalex.org/I11932220","display_name":"Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats","ror":"https://ror.org/0371hy230","country_code":"ES","type":"nonprofit","lineage":["https://openalex.org/I11932220"]},{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Patrick Aloy","raw_affiliation_strings":["Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats (ICREA), Barcelona, Catalonia, Spain","Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain"],"affiliations":[{"raw_affiliation_string":"Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats (ICREA), Barcelona, Catalonia, Spain","institution_ids":["https://openalex.org/I11932220"]},{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain","institution_ids":["https://openalex.org/I4210122345"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5002057785","display_name":"Rosalba Giugno","orcid":"https://orcid.org/0000-0001-9843-7638"},"institutions":[{"id":"https://openalex.org/I119439378","display_name":"University of Verona","ror":"https://ror.org/039bp8j42","country_code":"IT","type":"education","lineage":["https://openalex.org/I119439378"]},{"id":"https://openalex.org/I900890020","display_name":"University of Palermo","ror":"https://ror.org/044k9ta02","country_code":"IT","type":"education","lineage":["https://openalex.org/I900890020"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Rosalba Giugno","raw_affiliation_strings":["Department of Computer Science, University of Verona, Verona, Italy","NBFC, National Biodiversity Future Center, Palermo, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of Verona, Verona, Italy","institution_ids":["https://openalex.org/I119439378"]},{"raw_affiliation_string":"NBFC, National Biodiversity Future Center, Palermo, Italy","institution_ids":["https://openalex.org/I900890020"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5035509473"],"corresponding_institution_ids":["https://openalex.org/I119439378","https://openalex.org/I4210122345","https://openalex.org/I4210123346"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":4.7062,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.93836672,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"17","issue":"1","first_page":"13","last_page":"13"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9233999848365784,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/profiling","display_name":"Profiling (computer programming)","score":0.7961156368255615},{"id":"https://openalex.org/keywords/air-pollutants","display_name":"Air pollutants","score":0.4962478280067444},{"id":"https://openalex.org/keywords/pollutant","display_name":"Pollutant","score":0.4881916642189026},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4796733856201172},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.39370664954185486},{"id":"https://openalex.org/keywords/environmental-chemistry","display_name":"Environmental chemistry","score":0.3487517237663269},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.33781957626342773},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2606692910194397},{"id":"https://openalex.org/keywords/air-pollution","display_name":"Air pollution","score":0.23168721795082092}],"concepts":[{"id":"https://openalex.org/C187191949","wikidata":"https://www.wikidata.org/wiki/Q1138496","display_name":"Profiling (computer programming)","level":2,"score":0.7961156368255615},{"id":"https://openalex.org/C2987853052","wikidata":"https://www.wikidata.org/wiki/Q131123","display_name":"Air pollutants","level":3,"score":0.4962478280067444},{"id":"https://openalex.org/C82685317","wikidata":"https://www.wikidata.org/wiki/Q19829510","display_name":"Pollutant","level":2,"score":0.4881916642189026},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4796733856201172},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.39370664954185486},{"id":"https://openalex.org/C107872376","wikidata":"https://www.wikidata.org/wiki/Q321355","display_name":"Environmental chemistry","level":1,"score":0.3487517237663269},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.33781957626342773},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2606692910194397},{"id":"https://openalex.org/C559116025","wikidata":"https://www.wikidata.org/wiki/Q131123","display_name":"Air pollution","level":2,"score":0.23168721795082092},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/s13321-025-00961-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-025-00961-1","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-00961-1","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:39891207","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39891207","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of cheminformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:11786462","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11786462","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11786462/pdf/13321_2025_Article_961.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:15c45b6bf8014a4dbd2cbbdb1d3d2c49","is_oa":true,"landing_page_url":"https://doaj.org/article/15c45b6bf8014a4dbd2cbbdb1d3d2c49","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 17, Iss 1, Pp 1-16 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-025-00961-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-025-00961-1","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-00961-1","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.49000000953674316}],"awards":[{"id":"https://openalex.org/G3425703161","display_name":null,"funder_award_id":"CN_00000033","funder_id":"https://openalex.org/F4320331528","funder_display_name":"Ministero dell'Universit\u00e0 e della Ricerca"},{"id":"https://openalex.org/G5766285997","display_name":null,"funder_award_id":"PE0000006","funder_id":"https://openalex.org/F4320331528","funder_display_name":"Ministero dell'Universit\u00e0 e della Ricerca"},{"id":"https://openalex.org/G7862251960","display_name":null,"funder_award_id":"PE0000019","funder_id":"https://openalex.org/F4320331528","funder_display_name":"Ministero dell'Universit\u00e0 e della Ricerca"},{"id":"https://openalex.org/G860904222","display_name":null,"funder_award_id":"(n. F/310130/05/X56 - CUP: B39J23001730005) - D.M. MiSE 31/12/2021","funder_id":"https://openalex.org/F4320327844","funder_display_name":"Ministero dell'Economia e delle Finanze"}],"funders":[{"id":"https://openalex.org/F4320327844","display_name":"Ministero dell'Economia e delle Finanze","ror":null},{"id":"https://openalex.org/F4320331528","display_name":"Ministero dell'Universit\u00e0 e della Ricerca","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4407021760.pdf","grobid_xml":"https://content.openalex.org/works/W4407021760.grobid-xml"},"referenced_works_count":63,"referenced_works":["https://openalex.org/W1653739410","https://openalex.org/W1983478747","https://openalex.org/W1986102541","https://openalex.org/W2019488416","https://openalex.org/W2023839852","https://openalex.org/W2036142731","https://openalex.org/W2038681300","https://openalex.org/W2038869416","https://openalex.org/W2038963685","https://openalex.org/W2044002635","https://openalex.org/W2044703561","https://openalex.org/W2099071242","https://openalex.org/W2100672820","https://openalex.org/W2115627867","https://openalex.org/W2148145769","https://openalex.org/W2148432391","https://openalex.org/W2150842873","https://openalex.org/W2152274187","https://openalex.org/W2152800101","https://openalex.org/W2154290668","https://openalex.org/W2162011385","https://openalex.org/W2166574880","https://openalex.org/W2167212630","https://openalex.org/W2171464043","https://openalex.org/W2204695023","https://openalex.org/W2259538443","https://openalex.org/W2278332638","https://openalex.org/W2297957816","https://openalex.org/W2345356016","https://openalex.org/W2462053388","https://openalex.org/W2744167442","https://openalex.org/W2793168264","https://openalex.org/W2793951981","https://openalex.org/W2801555904","https://openalex.org/W2889216614","https://openalex.org/W2891777621","https://openalex.org/W2910111050","https://openalex.org/W2916534270","https://openalex.org/W2920735258","https://openalex.org/W2935632020","https://openalex.org/W2944545583","https://openalex.org/W2985881898","https://openalex.org/W2997765722","https://openalex.org/W3007246056","https://openalex.org/W3010038216","https://openalex.org/W3016549119","https://openalex.org/W3025733956","https://openalex.org/W3080117085","https://openalex.org/W3081992890","https://openalex.org/W3092712933","https://openalex.org/W3173289526","https://openalex.org/W4210702584","https://openalex.org/W4220831425","https://openalex.org/W4249920046","https://openalex.org/W4281832704","https://openalex.org/W4297458751","https://openalex.org/W4307296080","https://openalex.org/W4384347305","https://openalex.org/W4388455891","https://openalex.org/W4388615774","https://openalex.org/W4400974380","https://openalex.org/W4400974398","https://openalex.org/W4400974597"],"related_works":["https://openalex.org/W2392427421","https://openalex.org/W2717992184","https://openalex.org/W2141097079","https://openalex.org/W2944809113","https://openalex.org/W2391255140","https://openalex.org/W2156878610","https://openalex.org/W142713682","https://openalex.org/W4286275426","https://openalex.org/W2388169538","https://openalex.org/W2772399164"],"abstract_inverted_index":{"More":[0],"sophisticated":[1],"representations":[2,183],"of":[3,17,35,64,82,92,167,186,240],"compounds":[4,209,247],"attempt":[5],"to":[6,27,118,124,151,157,180,204,223],"incorporate":[7],"not":[8,50],"only":[9],"information":[10],"on":[11,61,67,271],"the":[12,28,62,77,80,90,100,126,165,168,238,260],"structure":[13],"and":[14,40,46,55,79,147,210,228,248,252,263],"physicochemical":[15],"properties":[16],"molecules,":[18],"but":[19],"also":[20,191],"knowledge":[21],"about":[22],"their":[23,43,225],"biological":[24,44,72,103,226,273],"traits,":[25],"leading":[26],"so-called":[29],"bioactivity":[30,145,217],"profile.":[31],"The":[32,233],"bioactive":[33],"profiling":[34],"air":[36,65,220],"pollutants":[37],"is":[38],"challenging":[39],"crucial,":[41],"as":[42,116],"activity":[45],"toxicological":[47],"effects":[48],"have":[49,190,267],"been":[51],"deeply":[52],"investigated":[53,208],"yet,":[54],"further":[56],"exploration":[57],"could":[58],"shed":[59],"light":[60],"impact":[63,270],"pollution":[66],"complex":[68],"disorders.":[69],"Therefore,":[70],"a":[71,96,119,134,193,268],"signature":[73],"that":[74,112,265],"simultaneously":[75],"captures":[76],"chemistry":[78],"biology":[81],"small":[83],"molecules":[84,222],"may":[85,266],"be":[86,106,114],"beneficial":[87],"in":[88,184],"predicting":[89],"behaviour":[91,227],"such":[93],"ligands":[94],"towards":[95],"protein":[97,211,231],"target.":[98],"Moreover,":[99],"interactivity":[101],"between":[102,207],"entities":[104],"can":[105,113],"represented":[107],"through":[108,250],"combined":[109],"feature":[110],"vectors":[111],"given":[115],"input":[117],"machine":[120],"learning":[121],"(ML)":[122],"model":[123,187],"capture":[125,224],"underlying":[127],"interaction.":[128],"To":[129],"this":[130],"end,":[131],"we":[132],"propose":[133],"chemogenomic":[135,235],"approach,":[136],"called":[137],"Air":[138],"Pollutant":[139],"Bioactivity":[140],"(APBIO),":[141],"which":[142],"integrates":[143],"compound":[144],"signatures":[146,218],"target":[148],"sequence":[149],"descriptors":[150],"train":[152],"ML":[153,254],"classifiers":[154],"subsequently":[155],"used":[156],"predict":[158,205],"potential":[159],"compound-target":[160],"interactions":[161,262],"(CTIs).":[162],"We":[163,189],"report":[164],"performances":[166],"proposed":[169,234],"methodology":[170,236],"and,":[171],"via":[172],"external":[173],"validation":[174],"sets,":[175],"demonstrate":[176],"its":[177],"outperformance":[178],"compared":[179],"existing":[181],"molecular":[182,261],"terms":[185],"generalizability.":[188],"developed":[192],"publicly":[194],"available":[195],"Streamlit":[196],"application":[197],"for":[198,219,243],"APBIO":[199],"at":[200],"ap-bio.streamlit.app,":[201],"allowing":[202],"users":[203],"associations":[206,229],"targets.Scientific":[212],"contributionWe":[213],"derived":[214],"ex":[215],"novo":[216],"pollutant":[221],"with":[230],"targets.":[232],"enables":[237],"prediction":[239],"novel":[241],"CTIs":[242],"known":[244],"or":[245],"similar":[246],"targets":[249],"well-established":[251],"efficient":[253],"models,":[255],"deepening":[256],"our":[257],"insight":[258],"into":[259],"mechanisms":[264],"deleterious":[269],"human":[272],"systems.":[274]},"counts_by_year":[{"year":2025,"cited_by_count":3}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
