{"id":"https://openalex.org/W4406770946","doi":"https://doi.org/10.1021/acs.jcim.4c02389","title":"Essential Oils as Antimicrobials against <i>Acinetobacter baumannii</i>: Experimental and Literature Data to Definite Predictive Quantitative Composition\u2013Activity Relationship Models Using Machine Learning Algorithms","display_name":"Essential Oils as Antimicrobials against <i>Acinetobacter baumannii</i>: Experimental and Literature Data to Definite Predictive Quantitative Composition\u2013Activity Relationship Models Using Machine Learning Algorithms","publication_year":2025,"publication_date":"2025-01-23","ids":{"openalex":"https://openalex.org/W4406770946","doi":"https://doi.org/10.1021/acs.jcim.4c02389","pmid":"https://pubmed.ncbi.nlm.nih.gov/39844439"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c02389","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02389","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102505381","display_name":"Roberta Astolfi","orcid":"https://orcid.org/0009-0002-0199-7730"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Roberta Astolfi","raw_affiliation_strings":["Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034324107","display_name":"Alessandra Oliva","orcid":"https://orcid.org/0000-0003-0832-7975"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Alessandra Oliva","raw_affiliation_strings":["Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]},{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010478894","display_name":"Antonio Raffo","orcid":"https://orcid.org/0000-0002-8507-2374"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Antonio Raffo","raw_affiliation_strings":["CREA-Research Centre for Food and Nutrition, Via Ardeatina, 546, Rome 00178, Italy"],"affiliations":[{"raw_affiliation_string":"CREA-Research Centre for Food and Nutrition, Via Ardeatina, 546, Rome 00178, Italy","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048001559","display_name":"Filippo Sapienza","orcid":null},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Filippo Sapienza","raw_affiliation_strings":["Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015848532","display_name":"Alessio Ragno","orcid":"https://orcid.org/0000-0002-8477-2088"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Alessio Ragno","raw_affiliation_strings":["Department of Computer, Control, and Management Engineering \u201cAntonio Ruberti\u201d","Sapienza University","Department of Computer, Control, and Management Engineering \"Antonio Ruberti\", Sapienza University, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Computer, Control, and Management Engineering \u201cAntonio Ruberti\u201d","institution_ids":[]},{"raw_affiliation_string":"Sapienza University","institution_ids":["https://openalex.org/I861853513"]},{"raw_affiliation_string":"Department of Computer, Control, and Management Engineering \"Antonio Ruberti\", Sapienza University, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010947132","display_name":"Eleonora Proia","orcid":"https://orcid.org/0000-0003-0855-5695"},"institutions":[{"id":"https://openalex.org/I4210110528","display_name":"Institute of Molecular Biology and Pathology","ror":"https://ror.org/01nyatq71","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210110528","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I4210155236","display_name":"National Research Council","ror":"https://ror.org/04zaypm56","country_code":"IT","type":"nonprofit","lineage":["https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Eleonora Proia","raw_affiliation_strings":["Department of Biochemistry Science \u201cInstitute of Molecular Biology and Pathology (IBPM) of the National Research Council (CNR) A. Rossi Fanelli\u201d P.le Aldo Moro 5, Rome 00185, Italy","Department of Biochemistry Science \"Institute of Molecular Biology and Pathology (IBPM) of the National Research Council (CNR) A. Rossi Fanelli\" P.le Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry Science \u201cInstitute of Molecular Biology and Pathology (IBPM) of the National Research Council (CNR) A. Rossi Fanelli\u201d P.le Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I4210110528","https://openalex.org/I4210155236"]},{"raw_affiliation_string":"Department of Biochemistry Science \"Institute of Molecular Biology and Pathology (IBPM) of the National Research Council (CNR) A. Rossi Fanelli\" P.le Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I4210110528","https://openalex.org/I4210155236"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030751316","display_name":"Claudio Maria Mastroianni","orcid":"https://orcid.org/0000-0002-1286-467X"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Claudio M Mastroianni","raw_affiliation_strings":["Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]},{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116009809","display_name":"Cristina Luceri","orcid":null},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Cristina Luceri","raw_affiliation_strings":["Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]},{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079150842","display_name":"Mijat Bo\u017eovi\u0107","orcid":"https://orcid.org/0000-0001-6718-8800"},"institutions":[{"id":"https://openalex.org/I5936373","display_name":"University of Montenegro","ror":"https://ror.org/02drrjp49","country_code":"ME","type":"education","lineage":["https://openalex.org/I5936373"]}],"countries":["ME"],"is_corresponding":false,"raw_author_name":"Mijat Bozovic","raw_affiliation_strings":["Faculty of Natural Science and Mathematics, University of Montenegro, D\u017eord\u017ea Va\u0161ingtona bb, Podgorica 81000, Montenegro"],"affiliations":[{"raw_affiliation_string":"Faculty of Natural Science and Mathematics, University of Montenegro, D\u017eord\u017ea Va\u0161ingtona bb, Podgorica 81000, Montenegro","institution_ids":["https://openalex.org/I5936373"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089110712","display_name":"Milan Mladenovi\u0107","orcid":"https://orcid.org/0000-0002-6556-8778"},"institutions":[{"id":"https://openalex.org/I14245010","display_name":"University of Kragujevac","ror":"https://ror.org/04f7vj627","country_code":"RS","type":"education","lineage":["https://openalex.org/I14245010"]}],"countries":["RS"],"is_corresponding":false,"raw_author_name":"Milan Mladenovic","raw_affiliation_strings":["Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovi\u0107a 12, Kragujevac 34000, P.O.\rBox 60, Serbia"],"affiliations":[{"raw_affiliation_string":"Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovi\u0107a 12, Kragujevac 34000, P.O.\rBox 60, Serbia","institution_ids":["https://openalex.org/I14245010"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012283569","display_name":"Rosanna Papa","orcid":"https://orcid.org/0000-0003-0330-2883"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Rosanna Papa","raw_affiliation_strings":["Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \u201cSapienza\u201d University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]},{"raw_affiliation_string":"Department of Public Health and Infectious Diseases, \"Sapienza\" University or Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016201118","display_name":"Patrizia Bottoni","orcid":"https://orcid.org/0000-0001-5427-8903"},"institutions":[{"id":"https://openalex.org/I103320735","display_name":"Universit\u00e0 Cattolica del Sacro Cuore","ror":"https://ror.org/03h7r5v07","country_code":"IT","type":"education","lineage":["https://openalex.org/I103320735"]},{"id":"https://openalex.org/I4210091292","display_name":"Istituto di Biologia e Biotecnologia Agraria","ror":"https://ror.org/01ar90c17","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210091292","https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Patrizia Bottoni","raw_affiliation_strings":["Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica","Universit\u00e0 Cattolica del Sacro Cuore","Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica, Universit\u00e0 Cattolica del Sacro Cuore, Rome 00168, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica","institution_ids":["https://openalex.org/I4210091292"]},{"raw_affiliation_string":"Universit\u00e0 Cattolica del Sacro Cuore","institution_ids":["https://openalex.org/I103320735"]},{"raw_affiliation_string":"Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica, Universit\u00e0 Cattolica del Sacro Cuore, Rome 00168, Italy","institution_ids":["https://openalex.org/I103320735"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091997220","display_name":"Elena Mazzinelli","orcid":"https://orcid.org/0000-0002-2508-0786"},"institutions":[{"id":"https://openalex.org/I103320735","display_name":"Universit\u00e0 Cattolica del Sacro Cuore","ror":"https://ror.org/03h7r5v07","country_code":"IT","type":"education","lineage":["https://openalex.org/I103320735"]},{"id":"https://openalex.org/I4210091292","display_name":"Istituto di Biologia e Biotecnologia Agraria","ror":"https://ror.org/01ar90c17","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210091292","https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Elena Mazzinelli","raw_affiliation_strings":["Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica","Universit\u00e0 Cattolica del Sacro Cuore","Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica, Universit\u00e0 Cattolica del Sacro Cuore, Rome 00168, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica","institution_ids":["https://openalex.org/I4210091292"]},{"raw_affiliation_string":"Universit\u00e0 Cattolica del Sacro Cuore","institution_ids":["https://openalex.org/I103320735"]},{"raw_affiliation_string":"Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica, Universit\u00e0 Cattolica del Sacro Cuore, Rome 00168, Italy","institution_ids":["https://openalex.org/I103320735"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009763206","display_name":"Giuseppina Nocca","orcid":"https://orcid.org/0000-0002-2799-4557"},"institutions":[{"id":"https://openalex.org/I103320735","display_name":"Universit\u00e0 Cattolica del Sacro Cuore","ror":"https://ror.org/03h7r5v07","country_code":"IT","type":"education","lineage":["https://openalex.org/I103320735"]},{"id":"https://openalex.org/I2802557943","display_name":"Agostino Gemelli University Polyclinic","ror":"https://ror.org/00rg70c39","country_code":"IT","type":"healthcare","lineage":["https://openalex.org/I2802557943"]},{"id":"https://openalex.org/I4210091292","display_name":"Istituto di Biologia e Biotecnologia Agraria","ror":"https://ror.org/01ar90c17","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210091292","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I4210153126","display_name":"Istituti di Ricovero e Cura a Carattere Scientifico","ror":"https://ror.org/04tfzc498","country_code":"IT","type":"healthcare","lineage":["https://openalex.org/I4210153126"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giuseppina Nocca","raw_affiliation_strings":["Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica","Fondazione Policlinico Universitario A. Gemelli, IRCCS","Universit\u00e0 Cattolica del Sacro Cuore","Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica, Universit\u00e0 Cattolica del Sacro Cuore, Rome 00168, Italy","Fondazione Policlinico Universitario A. Gemelli, IRCCS, Rome 00168, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica","institution_ids":["https://openalex.org/I4210091292"]},{"raw_affiliation_string":"Fondazione Policlinico Universitario A. Gemelli, IRCCS","institution_ids":["https://openalex.org/I2802557943"]},{"raw_affiliation_string":"Universit\u00e0 Cattolica del Sacro Cuore","institution_ids":["https://openalex.org/I103320735"]},{"raw_affiliation_string":"Dipartimento di Scienze biotecnologiche di base, cliniche intensivologiche e perioperatorie, Sezione di Biochimica, Universit\u00e0 Cattolica del Sacro Cuore, Rome 00168, Italy","institution_ids":["https://openalex.org/I103320735"]},{"raw_affiliation_string":"Fondazione Policlinico Universitario A. Gemelli, IRCCS, Rome 00168, Italy","institution_ids":["https://openalex.org/I2802557943","https://openalex.org/I4210153126"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003256018","display_name":"Rino Ragno","orcid":"https://orcid.org/0000-0001-5399-975X"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Rino Ragno","raw_affiliation_strings":["Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, Rome 00185, Italy"],"affiliations":[{"raw_affiliation_string":"Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, Rome 00185, Italy","institution_ids":["https://openalex.org/I861853513"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":15,"corresponding_author_ids":["https://openalex.org/A5003256018","https://openalex.org/A5034324107"],"corresponding_institution_ids":["https://openalex.org/I861853513"],"apc_list":null,"apc_paid":null,"fwci":6.4707,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.95690869,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"65","issue":"3","first_page":"1378","last_page":"1391"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10225","display_name":"Essential Oils and Antimicrobial Activity","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10225","display_name":"Essential Oils and Antimicrobial Activity","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1313","display_name":"Molecular Medicine"},"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/T10091","display_name":"Malaria Research and Control","score":0.9957000017166138,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/acinetobacter-baumannii","display_name":"Acinetobacter baumannii","score":0.8646837472915649},{"id":"https://openalex.org/keywords/antimicrobial","display_name":"Antimicrobial","score":0.6346925497055054},{"id":"https://openalex.org/keywords/acinetobacter","display_name":"Acinetobacter","score":0.47833988070487976},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4344162940979004},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.399834543466568},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3795270621776581},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.24138760566711426},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.19538289308547974},{"id":"https://openalex.org/keywords/antibiotics","display_name":"Antibiotics","score":0.11916995048522949},{"id":"https://openalex.org/keywords/bacteria","display_name":"Bacteria","score":0.0845857560634613},{"id":"https://openalex.org/keywords/pseudomonas-aeruginosa","display_name":"Pseudomonas aeruginosa","score":0.074663907289505}],"concepts":[{"id":"https://openalex.org/C2776315533","wikidata":"https://www.wikidata.org/wiki/Q3241189","display_name":"Acinetobacter baumannii","level":4,"score":0.8646837472915649},{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.6346925497055054},{"id":"https://openalex.org/C2778523567","wikidata":"https://www.wikidata.org/wiki/Q310457","display_name":"Acinetobacter","level":3,"score":0.47833988070487976},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4344162940979004},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.399834543466568},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3795270621776581},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.24138760566711426},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19538289308547974},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.11916995048522949},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.0845857560634613},{"id":"https://openalex.org/C2777637488","wikidata":"https://www.wikidata.org/wiki/Q31856","display_name":"Pseudomonas aeruginosa","level":3,"score":0.074663907289505},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008826","descriptor_name":"Microbial Sensitivity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008826","descriptor_name":"Microbial Sensitivity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008826","descriptor_name":"Microbial Sensitivity Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009822","descriptor_name":"Oils, Volatile","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009822","descriptor_name":"Oils, Volatile","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009822","descriptor_name":"Oils, Volatile","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009822","descriptor_name":"Oils, Volatile","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009822","descriptor_name":"Oils, Volatile","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009822","descriptor_name":"Oils, Volatile","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040981","descriptor_name":"Acinetobacter baumannii","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D040981","descriptor_name":"Acinetobacter baumannii","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D040981","descriptor_name":"Acinetobacter baumannii","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.4c02389","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02389","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:39844439","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39844439","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 chemical information and modeling","raw_type":null},{"id":"pmh:oai:iris.uniroma1.it:11573/1732570","is_oa":false,"landing_page_url":"https://hdl.handle.net/11573/1732570","pdf_url":null,"source":{"id":"https://openalex.org/S4377196107","display_name":"IRIS Research product catalog (Sapienza University of Rome)","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/2","display_name":"Zero hunger","score":0.7799999713897705}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1551920518","https://openalex.org/W1626053442","https://openalex.org/W1629950689","https://openalex.org/W1791437014","https://openalex.org/W1964419945","https://openalex.org/W2032096084","https://openalex.org/W2070837059","https://openalex.org/W2080740741","https://openalex.org/W2108319118","https://openalex.org/W2159435953","https://openalex.org/W2169266471","https://openalex.org/W2214527760","https://openalex.org/W2302544703","https://openalex.org/W2563276219","https://openalex.org/W2578361705","https://openalex.org/W2793313084","https://openalex.org/W2804230405","https://openalex.org/W2919830914","https://openalex.org/W3005623130","https://openalex.org/W3027350191","https://openalex.org/W3043496240","https://openalex.org/W3080710498","https://openalex.org/W3110379548","https://openalex.org/W3175129249","https://openalex.org/W3186879433","https://openalex.org/W3189484354","https://openalex.org/W3214742956","https://openalex.org/W4200580205","https://openalex.org/W4211007541","https://openalex.org/W4224313416","https://openalex.org/W4225877081","https://openalex.org/W4293013330","https://openalex.org/W4380047086","https://openalex.org/W4382777596","https://openalex.org/W4384826655","https://openalex.org/W4387232796","https://openalex.org/W4387638433","https://openalex.org/W4387847607","https://openalex.org/W4388872025","https://openalex.org/W4394581352","https://openalex.org/W4401009795","https://openalex.org/W4401044736","https://openalex.org/W4403745381"],"related_works":["https://openalex.org/W3093841189","https://openalex.org/W1515648715","https://openalex.org/W171006953","https://openalex.org/W4283820061","https://openalex.org/W3121339453","https://openalex.org/W2884114264","https://openalex.org/W2133692454","https://openalex.org/W2376376540","https://openalex.org/W2374404878","https://openalex.org/W2368525464"],"abstract_inverted_index":{"Essential":[0],"oils":[1],"(EOs)":[2],"exhibit":[3],"a":[4,207,220,229],"broad":[5],"spectrum":[6],"of":[7,33,60,200,210],"biological":[8,66,195],"activities;":[9],"however,":[10],"their":[11,65,70,305],"clinical":[12,311],"application":[13],"is":[14,30],"hindered":[15],"by":[16],"challenges,":[17],"such":[18],"as":[19,156,192],"variability":[20],"in":[21],"chemical":[22,34,50,71,80,171,178],"composition":[23,81],"and":[24,82,106,129,146,188,213,228,238,252,283,308],"chemical/physical":[25],"instability.":[26],"A":[27,89],"critical":[28,193],"limitation":[29],"the":[31,58,76,111,152,157,166,201,255,273,298],"lack":[32],"consistency":[35],"across":[36],"EO":[37,79,174,226],"samples,":[38,227],"which":[39],"impedes":[40],"standardization.":[41],"Despite":[42],"this,":[43],"evidence":[44],"suggests":[45],"that":[46],"EOs":[47,62,93,277],"with":[48,94,151,278,291],"differing":[49],"profiles":[51],"often":[52],"display":[53],"similar":[54],"(micro)biological":[55],"activities,":[56],"raising":[57],"possibility":[59],"standardizing":[61],"based":[63,164],"on":[64,165],"effects":[67],"rather":[68],"than":[69],"composition.":[72],"This":[73],"study":[74],"explored":[75],"relationship":[77,138],"between":[78,234],"antibacterial":[83,281],"activity":[84,282],"against":[85,206],"carbapenem-resistant":[86],"<i>Acinetobacter":[87],"baumannii</i>.":[88],"dataset":[90],"comprising":[91],"82":[92],"known":[95],"minimal":[96],"inhibitory":[97,240],"concentration":[98],"values":[99,241],"was":[100,142,204,232,259],"compiled":[101],"using":[102,144],"both":[103,279],"experimental":[104,239],"results":[105],"literature":[107],"data":[108,263],"sourced":[109],"from":[110,264],"AI4EssOil":[112],"database":[113],"(https://www.ai4essoil.com).":[114],"Machine":[115],"learning":[116,257],"classification":[117],"algorithms":[118],"including":[119],"Support":[120],"Vector":[121],"Machines,":[122],"Random":[123],"Forest,":[124],"Gradient":[125],"Boosting,":[126],"Decision":[127],"Trees,":[128],"K-Nearest":[130],"Neighbors":[131],"were":[132,190],"employed":[133],"to":[134,194,261,275],"generate":[135],"quantitative":[136],"composition-activity":[137],"models.":[139],"Model":[140],"performance":[141],"assessed":[143],"internal":[145],"external":[147],"prediction":[148,222],"accuracy":[149,223],"metrics":[150],"Matthews":[153],"correlation":[154,231],"coefficient":[155],"primary":[158],"evaluation":[159],"metrics.":[160],"Features":[161],"importance":[162,237],"analysis,":[163],"Skater":[167],"methodology,":[168],"identified":[169,292],"key":[170,293],"components":[172,179],"influencing":[173],"activity.":[175],"The":[176,197,217,270],"single":[177],"limonene,":[180],"eucalyptol,":[181,248],"alpha-pinene,":[182,249],"linalool,":[183,250],"beta-caryophyllene,":[184],"nerol,":[185],"beta-pinene,":[186],"neral,":[187],"carvacrol":[189],"highlighted":[191],"efficacy.":[196],"predictive":[198],"capacity":[199],"ML":[202],"models":[203,218],"validated":[205],"test":[208],"set":[209],"freshly":[211],"extracted":[212],"chemically":[214],"characterized":[215],"EOs.":[216,269],"demonstrated":[219],"91%":[221],"for":[224,242,267,300,310],"new":[225],"strong":[230],"observed":[233],"predicted":[235],"features":[236],"six":[243],"selected":[244],"pure":[245],"compounds":[246],"(limonene,":[247],"carvacrol,":[251],"thymol).":[253],"Additionally,":[254],"machine":[256],"approach":[258],"extended":[260],"cytotoxicity":[262,285],"3T3-Swiss":[265],"fibroblasts":[266],"61":[268],"analysis":[271],"revealed":[272],"potential":[274],"design":[276,307],"high":[280],"low":[284],"through":[286],"blending":[287],"or":[288],"selective":[289],"enrichment":[290],"components.":[294],"These":[295],"findings":[296],"pave":[297],"way":[299],"biologically":[301],"standardized":[302],"EOs,":[303],"enabling":[304],"rational":[306],"optimization":[309],"applications.":[312]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3}],"updated_date":"2026-04-14T08:04:32.555800","created_date":"2025-10-10T00:00:00"}