{"id":"https://openalex.org/W7128905485","doi":"https://doi.org/10.1186/s13321-026-01161-1","title":"FAME3R: an efficient, practical and reliable open-source tool for predicting phase\u00a01 and phase\u00a02 sites of metabolism","display_name":"FAME3R: an efficient, practical and reliable open-source tool for predicting phase\u00a01 and phase\u00a02 sites of metabolism","publication_year":2026,"publication_date":"2026-02-14","ids":{"openalex":"https://openalex.org/W7128905485","doi":"https://doi.org/10.1186/s13321-026-01161-1","pmid":"https://pubmed.ncbi.nlm.nih.gov/41691256"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-026-01161-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-026-01161-1","pdf_url":null,"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","license_id":"https://openalex.org/licenses/cc-by","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://doi.org/10.1186/s13321-026-01161-1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5108891095","display_name":"Roxane Axel Jacob","orcid":null},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]},{"id":"https://openalex.org/I4210105054","display_name":"Christian Doppler Laboratory for Thermoelectricity","ror":"https://ror.org/01cbw5x35","country_code":"AT","type":"facility","lineage":["https://openalex.org/I129774422","https://openalex.org/I145847075","https://openalex.org/I4210105054"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Roxane Axel Jacob","raw_affiliation_strings":["Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I4210105054"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]},{"raw_affiliation_string":"Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5119814762","display_name":"Leo Gaskin","orcid":"https://orcid.org/0009-0009-3412-147X"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Leo Gaskin","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025998898","display_name":"T. Seidel","orcid":null},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]},{"id":"https://openalex.org/I4210105054","display_name":"Christian Doppler Laboratory for Thermoelectricity","ror":"https://ror.org/01cbw5x35","country_code":"AT","type":"facility","lineage":["https://openalex.org/I129774422","https://openalex.org/I145847075","https://openalex.org/I4210105054"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Thomas Seidel","raw_affiliation_strings":["Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I4210105054"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019295084","display_name":"Chen Ya","orcid":"https://orcid.org/0000-0002-3590-1306"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Ya Chen","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019195809","display_name":"Angelica Mazzolari","orcid":"https://orcid.org/0000-0003-1352-1094"},"institutions":[{"id":"https://openalex.org/I189158943","display_name":"University of Milan","ror":"https://ror.org/00wjc7c48","country_code":"IT","type":"education","lineage":["https://openalex.org/I189158943"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Angelica Mazzolari","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universita degli Studi di Milano, 20133, Milano, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universita degli Studi di Milano, 20133, Milano, Italy","institution_ids":["https://openalex.org/I189158943"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5065353728","display_name":"Johannes Kirchmair","orcid":"https://orcid.org/0000-0003-2667-5877"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]},{"id":"https://openalex.org/I4210105054","display_name":"Christian Doppler Laboratory for Thermoelectricity","ror":"https://ror.org/01cbw5x35","country_code":"AT","type":"facility","lineage":["https://openalex.org/I129774422","https://openalex.org/I145847075","https://openalex.org/I4210105054"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Johannes Kirchmair","raw_affiliation_strings":["Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria. johannes.kirchmair@univie.ac.at","Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria. johannes.kirchmair@univie.ac.at"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria. johannes.kirchmair@univie.ac.at","institution_ids":["https://openalex.org/I4210105054"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090, Vienna, Austria. johannes.kirchmair@univie.ac.at","institution_ids":["https://openalex.org/I129774422"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5065353728"],"corresponding_institution_ids":["https://openalex.org/I129774422","https://openalex.org/I4210105054"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":35.5535,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.99430049,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"18","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.6047000288963318,"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":0.6047000288963318,"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/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.0835999995470047,"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"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.05079999938607216,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.8568000197410583},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.7975000143051147},{"id":"https://openalex.org/keywords/pipeline","display_name":"Pipeline (software)","score":0.4733000099658966},{"id":"https://openalex.org/keywords/entropy","display_name":"Entropy (arrow of time)","score":0.39480000734329224},{"id":"https://openalex.org/keywords/component","display_name":"Component (thermodynamics)","score":0.38109999895095825},{"id":"https://openalex.org/keywords/cellular-metabolism","display_name":"Cellular metabolism","score":0.366100013256073},{"id":"https://openalex.org/keywords/profiling","display_name":"Profiling (computer programming)","score":0.31470000743865967}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.8568000197410583},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.7975000143051147},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7494000196456909},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4984999895095825},{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.4733000099658966},{"id":"https://openalex.org/C106301342","wikidata":"https://www.wikidata.org/wiki/Q4117933","display_name":"Entropy (arrow of time)","level":2,"score":0.39480000734329224},{"id":"https://openalex.org/C168167062","wikidata":"https://www.wikidata.org/wiki/Q1117970","display_name":"Component (thermodynamics)","level":2,"score":0.38109999895095825},{"id":"https://openalex.org/C2994212657","wikidata":"https://www.wikidata.org/wiki/Q1057","display_name":"Cellular metabolism","level":3,"score":0.366100013256073},{"id":"https://openalex.org/C187191949","wikidata":"https://www.wikidata.org/wiki/Q1138496","display_name":"Profiling (computer programming)","level":2,"score":0.31470000743865967},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.3084999918937683},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.3010999858379364},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.29330000281333923},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.2770000100135803},{"id":"https://openalex.org/C137866125","wikidata":"https://www.wikidata.org/wiki/Q4299308","display_name":"Modelling biological systems","level":3,"score":0.27410000562667847},{"id":"https://openalex.org/C43214815","wikidata":"https://www.wikidata.org/wiki/Q7310987","display_name":"Reliability (semiconductor)","level":3,"score":0.273499995470047},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.25540000200271606},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2540000081062317},{"id":"https://openalex.org/C101810790","wikidata":"https://www.wikidata.org/wiki/Q2263094","display_name":"Metabolic network","level":2,"score":0.25290000438690186}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-026-01161-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-026-01161-1","pdf_url":null,"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:41691256","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41691256","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:air.unimi.it:2434/1242958","is_oa":true,"landing_page_url":"https://hdl.handle.net/2434/1242958","pdf_url":null,"source":{"id":"https://openalex.org/S4306400516","display_name":"Archivio Istituzionale della Ricerca (Universita Degli Studi Di Milano)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I189158943","host_organization_name":"University of Milan","host_organization_lineage":["https://openalex.org/I189158943"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:doaj.org/article:35cf09051cbb4741a3c1e58479270b05","is_oa":true,"landing_page_url":"https://doaj.org/article/35cf09051cbb4741a3c1e58479270b05","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 18, Iss 1 (2026)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13011438","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13011438/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s13321-026-01161-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-026-01161-1","pdf_url":null,"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.4097948968410492,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320310133","display_name":"Rice University","ror":"https://ror.org/008zs3103"},{"id":"https://openalex.org/F4320313475","display_name":"Universit\u00e0 degli Studi di Milano","ror":"https://ror.org/00wjc7c48"},{"id":"https://openalex.org/F4320321691","display_name":"Universit\u00e4t Wien","ror":"https://ror.org/03prydq77"},{"id":"https://openalex.org/F4320323591","display_name":"Christian Doppler Forschungsgesellschaft","ror":"https://ror.org/00mv8h305"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W1971223189","https://openalex.org/W2069457036","https://openalex.org/W2075550795","https://openalex.org/W2117750093","https://openalex.org/W2161239029","https://openalex.org/W2622236128","https://openalex.org/W2772275705","https://openalex.org/W2900981302","https://openalex.org/W2965877034","https://openalex.org/W2996555696","https://openalex.org/W3006192253","https://openalex.org/W3029685194","https://openalex.org/W3046227393","https://openalex.org/W3158438880","https://openalex.org/W4320856113","https://openalex.org/W4366289286","https://openalex.org/W4413006877","https://openalex.org/W4414609805","https://openalex.org/W4414748955"],"related_works":[],"abstract_inverted_index":{"Predicting":[0],"likely":[1],"sites":[2],"of":[3,21,41,48,61,88],"metabolism":[4],"(SOMs),":[5],"i.e.,":[6],"the":[7,22,118,162],"atoms":[8],"in":[9,37,69],"a":[10,43,58,108,137,141,154,157],"molecule":[11],"where":[12],"metabolic":[13],"reactions":[14],"are":[15],"initiated,":[16],"is":[17,39,128],"an":[18,85,131],"important":[19],"component":[20],"computational":[23,93],"development":[24],"pipeline":[25],"for":[26,57,143],"pharmaceuticals,":[27],"agrochemicals,":[28],"and":[29,53,72,95,117,140,156],"cosmetics.":[30],"Among":[31],"SOM":[32],"prediction":[33],"tools,":[34],"FAME3,":[35],"introduced":[36],"2019,":[38],"one":[40],"only":[42],"few":[44],"non-commercial":[45],"models":[46,149],"capable":[47],"predicting":[49],"both":[50,136],"Phase":[51,54],"1":[52],"2":[55],"SOMs":[56],"wide":[59],"range":[60],"xenobiotics.":[62],"However,":[63],"its":[64],"original":[65],"implementation":[66],"posed":[67],"challenges":[68],"maintainability,":[70],"scalability,":[71],"interoperability,":[73],"which":[74],"hindered":[75],"broader":[76],"adoption.":[77],"To":[78],"overcome":[79],"these":[80],"limitations,":[81],"we":[82],"developed":[83],"FAME3R,":[84],"enhanced":[86],"version":[87],"FAME3":[89],"designed":[90],"to":[91,120],"improve":[92],"efficiency":[94],"facilitate":[96],"integration":[97],"with":[98],"contemporary":[99],"cheminformatics":[100],"workflows.":[101],"FAME3R":[102,148],"introduces":[103],"several":[104],"new":[105],"features,":[106],"including":[107],"novel":[109],"reliability":[110],"assessment":[111],"method":[112],"based":[113],"on":[114,161],"Shannon":[115],"entropy":[116],"option":[119],"select":[121],"among":[122],"various":[123],"featurization":[124],"strategies.":[125],"The":[126],"tool":[127],"available":[129],"as":[130],"open-source":[132],"Python":[133,138],"package,":[134],"offering":[135],"API":[139,159],"CLI":[142],"flexible":[144],"usage.":[145],"Additionally,":[146],"trained":[147],"can":[150],"be":[151],"accessed":[152],"via":[153],"GUI":[155],"REST":[158],"hosted":[160],"NERDD":[163],"web":[164],"platform.":[165]},"counts_by_year":[{"year":2026,"cited_by_count":2}],"updated_date":"2026-05-31T08:46:17.908082","created_date":"2026-02-15T00:00:00"}