{"id":"https://openalex.org/W3010936088","doi":"https://doi.org/10.1111/cbdd.13678","title":"In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii","display_name":"In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii","publication_year":2020,"publication_date":"2020-03-13","ids":{"openalex":"https://openalex.org/W3010936088","doi":"https://doi.org/10.1111/cbdd.13678","mag":"3010936088","pmid":"https://pubmed.ncbi.nlm.nih.gov/32168424"},"language":"en","primary_location":{"id":"doi:10.1111/cbdd.13678","doi":"https://doi.org/10.1111/cbdd.13678","is_oa":true,"landing_page_url":"https://doi.org/10.1111/cbdd.13678","pdf_url":null,"source":{"id":"https://openalex.org/S123587420","display_name":"Chemical Biology & Drug Design","issn_l":"1747-0277","issn":["1747-0277","1747-0285"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Biology & Drug Design","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1111/cbdd.13678","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5017651727","display_name":"Maria M. Trush","orcid":"https://orcid.org/0000-0001-5462-7026","observed_orcids":["https://orcid.org/0000-0001-5462-7026"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":true,"raw_author_name":"Maria M. Trush","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":"https://orcid.org/0000-0001-5462-7026","affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067746744","display_name":"Vasyl Kovalishyn","orcid":"https://orcid.org/0000-0002-9352-7332","observed_orcids":["https://orcid.org/0000-0002-9352-7332"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Vasyl Kovalishyn","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":"https://orcid.org/0000-0002-9352-7332","affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090132409","display_name":"Diana M. Hodyna","orcid":"https://orcid.org/0000-0001-6161-9833","observed_orcids":["https://orcid.org/0000-0001-6161-9833"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Diana Hodyna","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072322913","display_name":"Aleksandr V. Golovchenko","orcid":"https://orcid.org/0000-0001-7756-6019","observed_orcids":["https://orcid.org/0000-0001-7756-6019"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Olexandr V. Golovchenko","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079204218","display_name":"Svitlana A. Chumachenko","orcid":"https://orcid.org/0000-0001-7020-8622","observed_orcids":["https://orcid.org/0000-0001-7020-8622"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Svitlana Chumachenko","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067679577","display_name":"Igor V. Tetko","orcid":"https://orcid.org/0000-0002-6855-0012","observed_orcids":["https://orcid.org/0000-0002-6855-0012"]},"institutions":[{"id":"https://openalex.org/I3018134672","display_name":"Helmholtz Munich","ror":"https://ror.org/00cfam450","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1305996414","https://openalex.org/I3018134672"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Igor V. Tetko","raw_affiliation_strings":["BIGCHEM GmbH Unterschlei\u00dfheim Germany","Helmholtz Zentrum M\u00fcnchen \u2010 German Research Center for Environmental Health (GmbH) Neuherberg Germany"],"raw_orcid":"https://orcid.org/0000-0002-6855-0012","affiliations":[{"raw_affiliation_string":"BIGCHEM GmbH Unterschlei\u00dfheim Germany","institution_ids":[]},{"raw_affiliation_string":"Helmholtz Zentrum M\u00fcnchen \u2010 German Research Center for Environmental Health (GmbH) Neuherberg Germany","institution_ids":["https://openalex.org/I3018134672"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009744325","display_name":"\u0412. \u0421. \u0411\u0440\u043e\u0432\u0430\u0440\u0435\u0446","orcid":"https://orcid.org/0000-0001-6668-3412","observed_orcids":["https://orcid.org/0000-0001-6668-3412"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Volodymyr S. Brovarets","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037386566","display_name":"Larysa O. Metelytsia","orcid":"https://orcid.org/0000-0002-9876-6076","observed_orcids":["https://orcid.org/0000-0002-9876-6076"]},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210117011","display_name":"Institute of Bioorganic Chemistry and Petrochemistry V.P. Kukhar","ror":"https://ror.org/02tb8n028","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Larysa Metelytsia","raw_affiliation_strings":["V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, Kyiv, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5017651727"],"corresponding_institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210117011"],"apc_list":{"value":3100,"currency":"USD","value_usd":3100},"apc_paid":{"value":3100,"currency":"USD","value_usd":3100},"fwci":0.3722,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.53465484,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":92,"max":97},"biblio":{"volume":"95","issue":"6","first_page":"624","last_page":"630"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9765999913215637,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9765999913215637,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12526","display_name":"Antimicrobial agents and applications","score":0.005799999926239252,"subfield":{"id":"https://openalex.org/subfields/2402","display_name":"Applied Microbiology and Biotechnology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T13160","display_name":"Synthesis and Biological Evaluation","score":0.0032999999821186066,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/phosphonium-ionic-liquids","display_name":"phosphonium ionic liquids","score":0.9909999966621399},{"id":"https://openalex.org/keywords/acinetobacter-baumannii","display_name":"Acinetobacter baumannii","score":0.9079999923706055},{"id":"https://openalex.org/keywords/multidrug-resistance","display_name":"multidrug resistance","score":0.9300000071525574},{"id":"https://openalex.org/keywords/antibacterial-activity","display_name":"antibacterial activity","score":0.8980000019073486},{"id":"https://openalex.org/keywords/qsar","display_name":"QSAR","score":0.8920000195503235},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.5630000233650208},{"id":"https://openalex.org/keywords/gram-negative-bacteria","display_name":"Gram-negative bacteria","score":0.8960000276565552},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.5139999985694885},{"id":"https://openalex.org/keywords/antibiotic-design","display_name":"antibiotic design","score":0.4350000023841858}],"concepts":[{"id":"https://openalex.org/C2776315533","wikidata":"https://www.wikidata.org/wiki/Q3241189","display_name":"Acinetobacter baumannii","level":4,"score":0.922846794128418},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7288564443588257},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6110091805458069},{"id":"https://openalex.org/C22019652","wikidata":"https://www.wikidata.org/wiki/Q331309","display_name":"Overfitting","level":3,"score":0.5103546977043152},{"id":"https://openalex.org/C2778523567","wikidata":"https://www.wikidata.org/wiki/Q310457","display_name":"Acinetobacter","level":3,"score":0.4828217923641205},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.3469861149787903},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33238765597343445},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.32553523778915405},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2927570343017578},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.23427936434745789},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.22137007117271423},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.16023188829421997},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.14994746446609497},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.1104537844657898},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0693015456199646},{"id":"https://openalex.org/C2777637488","wikidata":"https://www.wikidata.org/wiki/Q31856","display_name":"Pseudomonas aeruginosa","level":3,"score":0.0690430998802185},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","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":false},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003445","descriptor_name":"Crustacea","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","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":false},{"descriptor_ui":"D009943","descriptor_name":"Organophosphorus Compounds","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":"D024901","descriptor_name":"Drug Resistance, Multiple, Bacterial","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":"D052578","descriptor_name":"Ionic Liquids","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D052578","descriptor_name":"Ionic Liquids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1111/cbdd.13678","doi":"https://doi.org/10.1111/cbdd.13678","is_oa":true,"landing_page_url":"https://doi.org/10.1111/cbdd.13678","pdf_url":null,"source":{"id":"https://openalex.org/S123587420","display_name":"Chemical Biology & Drug Design","issn_l":"1747-0277","issn":["1747-0277","1747-0285"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Biology & Drug Design","raw_type":"journal-article"},{"id":"pmid:32168424","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32168424","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,"listed_in":[],"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":"Chemical biology & drug design","raw_type":"Journal Article"},{"id":"pmh:oai:opus-zb.helmholtz-muenchen.de:58575","doi":null,"is_oa":true,"landing_page_url":"https://push-zb.helmholtz-muenchen.de/frontdoor.php?source_opus=58575","pdf_url":null,"source":{"id":"https://openalex.org/S4377196115","display_name":"Site cant be reached","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chem. Biol. Drug Des. 95, 624-630 (2020)","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:push-zb.helmholtz-munich.de:58575","doi":null,"is_oa":false,"landing_page_url":"https://push-zb.helmholtz-munich.de/frontdoor.php?source_opus=58575","pdf_url":null,"source":{"id":"https://openalex.org/S7407055352","display_name":"PuSH - Publication Server of Helmholtz Zentrum M\u00fcnchen","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"Chem. Biol. Drug Des. 95, 624-630 (2020)","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1111/cbdd.13678","doi":"https://doi.org/10.1111/cbdd.13678","is_oa":true,"landing_page_url":"https://doi.org/10.1111/cbdd.13678","pdf_url":null,"source":{"id":"https://openalex.org/S123587420","display_name":"Chemical Biology & Drug Design","issn_l":"1747-0277","issn":["1747-0277","1747-0285"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Biology & Drug Design","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.7246000170707703}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W116770409","https://openalex.org/W181484868","https://openalex.org/W1541037889","https://openalex.org/W1972156862","https://openalex.org/W1972266664","https://openalex.org/W1975298007","https://openalex.org/W1978327914","https://openalex.org/W1980864636","https://openalex.org/W1986021215","https://openalex.org/W2000209440","https://openalex.org/W2003562258","https://openalex.org/W2006360003","https://openalex.org/W2006881751","https://openalex.org/W2020013811","https://openalex.org/W2023058046","https://openalex.org/W2082563519","https://openalex.org/W2083152791","https://openalex.org/W2108638835","https://openalex.org/W2108832317","https://openalex.org/W2117696416","https://openalex.org/W2119723273","https://openalex.org/W2136931384","https://openalex.org/W2149500566","https://openalex.org/W2201379139","https://openalex.org/W2258088715","https://openalex.org/W2330377067","https://openalex.org/W2477596509","https://openalex.org/W2537064446","https://openalex.org/W2604630924","https://openalex.org/W2788287081","https://openalex.org/W2888371915","https://openalex.org/W2911964244","https://openalex.org/W2921825362","https://openalex.org/W6607474368"],"related_works":["https://openalex.org/W3120028903","https://openalex.org/W4410597962","https://openalex.org/W4224296995","https://openalex.org/W4319599432","https://openalex.org/W4406217783","https://openalex.org/W2763682245","https://openalex.org/W4366070358","https://openalex.org/W2338180516","https://openalex.org/W4396625373","https://openalex.org/W4416735091"],"abstract_inverted_index":{"QSAR":[0],"analysis":[1],"of":[2,5,33,47,56,68,72,91,119,137,180],"a":[3,96,112],"set":[4,79],"previously":[6],"synthesized":[7],"phosphonium":[8],"ionic":[9],"liquids":[10],"(PILs)":[11],"tested":[12,61,150],"against":[13,121],"Gram-negative":[14],"multidrug-resistant":[15],"clinical":[16],"isolate":[17],"Acinetobacter":[18,123],"baumannii":[19,155],"was":[20,51,60,139],"done":[21],"using":[22,75,141],"the":[23,31,48,57,73,82,89,100,142],"Online":[24],"Chemical":[25],"Modeling":[26],"Environment":[27],"(OCHEM).":[28],"To":[29],"overcome":[30],"problem":[32],"overfitting":[34],"due":[35],"to":[36,87,110],"descriptor":[37],"selection,":[38],"fivefold":[39],"cross-validation":[40],"with":[41,95,116],"variable":[42],"selection":[43],"in":[44,146],"each":[45],"step":[46],"model":[49],"development":[50],"applied.":[52],"The":[53,70,106,125,161],"predictive":[54],"ability":[55],"classification":[58,163],"models":[59,74,83,107,165],"by":[62,176],"cross-validation,":[63],"giving":[64],"balanced":[65],"accuracies":[66],"(BA)":[67],"76%-82%.":[69],"validation":[71],"an":[76],"external":[77],"test":[78],"proved":[80],"that":[81],"can":[84],"be":[85,174],"used":[86,175],"predict":[88],"activity":[90,118,156],"newly":[92],"designed":[93],"compounds":[94,120,129,138],"reasonable":[97],"accuracy":[98],"within":[99],"applicability":[101],"domain":[102],"(BA":[103],"=":[104],"83%-89%).":[105],"were":[108,130],"applied":[109],"screen":[111],"virtual":[113],"chemical":[114],"library":[115],"expected":[117],"MDR":[122],"baumannii.":[124],"eighteen":[126],"most":[127],"promising":[128],"identified,":[131],"synthesized,":[132],"and":[133,157,172],"tested.":[134],"Biological":[135],"testing":[136],"performed":[140],"disk":[143],"diffusion":[144],"method":[145],"Mueller-Hinton":[147],"agar.":[148],"All":[149],"molecules":[151],"demonstrated":[152],"high":[153],"anti-A.":[154],"different":[158],"toxicity":[159],"levels.":[160],"developed":[162],"SAR":[164],"are":[166],"freely":[167],"available":[168],"online":[169],"at":[170],"http://ochem.eu/article/113921":[171],"could":[173],"scientists":[177],"for":[178],"design":[179],"new":[181],"more":[182],"effective":[183],"antibiotics.":[184]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2020-03-23T00:00:00"}