{"id":"https://openalex.org/W4414822610","doi":"https://doi.org/10.1016/j.compchemeng.2025.109430","title":"Integration of graph-based descriptors with machine learning algorithm for QSPR modeling of fluoroquinolones","display_name":"Integration of graph-based descriptors with machine learning algorithm for QSPR modeling of fluoroquinolones","publication_year":2025,"publication_date":"2025-10-04","ids":{"openalex":"https://openalex.org/W4414822610","doi":"https://doi.org/10.1016/j.compchemeng.2025.109430"},"language":"en","primary_location":{"id":"doi:10.1016/j.compchemeng.2025.109430","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compchemeng.2025.109430","pdf_url":null,"source":{"id":"https://openalex.org/S150671403","display_name":"Computers & Chemical Engineering","issn_l":"0098-1354","issn":["0098-1354","1873-4375"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemical Engineering","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"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/A5024036292","display_name":"Muhammad Farhan Hanif","orcid":"https://orcid.org/0009-0008-2309-822X"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Muhammad Farhan Hanif","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5024036292"],"corresponding_institution_ids":[],"apc_list":{"value":4070,"currency":"USD","value_usd":4070},"apc_paid":null,"fwci":4.9215,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.95552891,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"204","issue":null,"first_page":"109430","last_page":"109430"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9934999942779541,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9710000157356262,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7142000198364258},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.39010000228881836},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.2806999981403351},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.2556000053882599}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7142000198364258},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.652899980545044},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5932999849319458},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5579000115394592},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4375},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.39010000228881836},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3043000102043152},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.2806999981403351},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.2556000053882599},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.24619999527931213}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.compchemeng.2025.109430","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compchemeng.2025.109430","pdf_url":null,"source":{"id":"https://openalex.org/S150671403","display_name":"Computers & Chemical Engineering","issn_l":"0098-1354","issn":["0098-1354","1873-4375"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemical Engineering","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":73,"referenced_works":["https://openalex.org/W2000076674","https://openalex.org/W2021229217","https://openalex.org/W2055750281","https://openalex.org/W2065534534","https://openalex.org/W2341939561","https://openalex.org/W2895305009","https://openalex.org/W3084482269","https://openalex.org/W3127559895","https://openalex.org/W4220957945","https://openalex.org/W4362722023","https://openalex.org/W4367313438","https://openalex.org/W4372323219","https://openalex.org/W4380028425","https://openalex.org/W4386738755","https://openalex.org/W4387574538","https://openalex.org/W4387848101","https://openalex.org/W4389131658","https://openalex.org/W4389610068","https://openalex.org/W4390578906","https://openalex.org/W4391345117","https://openalex.org/W4391594710","https://openalex.org/W4391850361","https://openalex.org/W4391933417","https://openalex.org/W4391962675","https://openalex.org/W4392137564","https://openalex.org/W4392284928","https://openalex.org/W4393210046","https://openalex.org/W4393900160","https://openalex.org/W4394916849","https://openalex.org/W4395675728","https://openalex.org/W4396626939","https://openalex.org/W4396672078","https://openalex.org/W4398216995","https://openalex.org/W4399474017","https://openalex.org/W4399570266","https://openalex.org/W4399850980","https://openalex.org/W4400110151","https://openalex.org/W4400620445","https://openalex.org/W4400871355","https://openalex.org/W4401001694","https://openalex.org/W4401060936","https://openalex.org/W4401314946","https://openalex.org/W4401689307","https://openalex.org/W4401732354","https://openalex.org/W4402433505","https://openalex.org/W4402524421","https://openalex.org/W4402627283","https://openalex.org/W4402939557","https://openalex.org/W4403356544","https://openalex.org/W4403425477","https://openalex.org/W4403538913","https://openalex.org/W4404057794","https://openalex.org/W4404172221","https://openalex.org/W4404387795","https://openalex.org/W4404563171","https://openalex.org/W4404724839","https://openalex.org/W4404918669","https://openalex.org/W4404938630","https://openalex.org/W4405079534","https://openalex.org/W4405212308","https://openalex.org/W4405221369","https://openalex.org/W4405245078","https://openalex.org/W4405284819","https://openalex.org/W4406277902","https://openalex.org/W4406913291","https://openalex.org/W4407069641","https://openalex.org/W4407953047","https://openalex.org/W4410010614","https://openalex.org/W4410383204","https://openalex.org/W4410617876","https://openalex.org/W4410631604","https://openalex.org/W4410831608","https://openalex.org/W4411370861"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2}],"updated_date":"2026-05-14T08:36:36.166977","created_date":"2025-10-10T00:00:00"}