{"id":"https://openalex.org/W2014310203","doi":"https://doi.org/10.1016/s0097-8485(02)00049-9","title":"On the solution of mixed-integer nonlinear programming models for computer aided molecular design","display_name":"On the solution of mixed-integer nonlinear programming models for computer aided molecular design","publication_year":2002,"publication_date":"2002-11-01","ids":{"openalex":"https://openalex.org/W2014310203","doi":"https://doi.org/10.1016/s0097-8485(02)00049-9","mag":"2014310203","pmid":"https://pubmed.ncbi.nlm.nih.gov/12385479"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(02)00049-9","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(02)00049-9","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","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/A5111655641","display_name":"Guennadi M. Ostrovsky","orcid":null},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Guennadi M. Ostrovsky","raw_affiliation_strings":["Department of Chemical Engineering, University of Connecticut, Storrs 06269, USA","Department of Chemical Engineering, University of Connecticut, Unit 3222, 191 Auditorium Road, Storrs, CT 06269, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of Connecticut, Storrs 06269, USA","institution_ids":[]},{"raw_affiliation_string":"Department of Chemical Engineering, University of Connecticut, Unit 3222, 191 Auditorium Road, Storrs, CT 06269, USA","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086736683","display_name":"Luke E. K. Achenie","orcid":"https://orcid.org/0000-0001-9850-5346"},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Luke E.K. Achenie","raw_affiliation_strings":["Department of Chemical Engineering, University of Connecticut, Unit 3222, 191 Auditorium Road, Storrs, CT 06269, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of Connecticut, Unit 3222, 191 Auditorium Road, Storrs, CT 06269, USA","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075119554","display_name":"Manish Sinha","orcid":null},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Manish Sinha","raw_affiliation_strings":["Department of Chemical Engineering, University of Connecticut, Unit 3222, 191 Auditorium Road, Storrs, CT 06269, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, University of Connecticut, Unit 3222, 191 Auditorium Road, Storrs, CT 06269, USA","institution_ids":["https://openalex.org/I140172145"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5086736683"],"corresponding_institution_ids":["https://openalex.org/I140172145"],"apc_list":null,"apc_paid":null,"fwci":2.5478,"has_fulltext":false,"cited_by_count":32,"citation_normalized_percentile":{"value":0.88395879,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"26","issue":"6","first_page":"645","last_page":"660"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11053","display_name":"Process Optimization and Integration","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11053","display_name":"Process Optimization and Integration","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9954000115394592,"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/T10791","display_name":"Advanced Control Systems Optimization","score":0.9945999979972839,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/mathematical-optimization","display_name":"Mathematical optimization","score":0.6732673645019531},{"id":"https://openalex.org/keywords/nonlinear-programming","display_name":"Nonlinear programming","score":0.6223517060279846},{"id":"https://openalex.org/keywords/integer-programming","display_name":"Integer programming","score":0.6093423366546631},{"id":"https://openalex.org/keywords/nonlinear-system","display_name":"Nonlinear system","score":0.5866689682006836},{"id":"https://openalex.org/keywords/curse-of-dimensionality","display_name":"Curse of dimensionality","score":0.5706608295440674},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5363337993621826},{"id":"https://openalex.org/keywords/linear-programming","display_name":"Linear programming","score":0.532669186592102},{"id":"https://openalex.org/keywords/branch-and-bound","display_name":"Branch and bound","score":0.4894026815891266},{"id":"https://openalex.org/keywords/branching","display_name":"Branching (polymer chemistry)","score":0.4752984941005707},{"id":"https://openalex.org/keywords/optimization-problem","display_name":"Optimization problem","score":0.4153584837913513},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.41470950841903687},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.4142104983329773},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3967132568359375},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.322055459022522},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.10417994856834412}],"concepts":[{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.6732673645019531},{"id":"https://openalex.org/C115527620","wikidata":"https://www.wikidata.org/wiki/Q769909","display_name":"Nonlinear programming","level":3,"score":0.6223517060279846},{"id":"https://openalex.org/C56086750","wikidata":"https://www.wikidata.org/wiki/Q6042592","display_name":"Integer programming","level":2,"score":0.6093423366546631},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.5866689682006836},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.5706608295440674},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5363337993621826},{"id":"https://openalex.org/C41045048","wikidata":"https://www.wikidata.org/wiki/Q202843","display_name":"Linear programming","level":2,"score":0.532669186592102},{"id":"https://openalex.org/C93693863","wikidata":"https://www.wikidata.org/wiki/Q897659","display_name":"Branch and bound","level":2,"score":0.4894026815891266},{"id":"https://openalex.org/C206175624","wikidata":"https://www.wikidata.org/wiki/Q595731","display_name":"Branching (polymer chemistry)","level":2,"score":0.4752984941005707},{"id":"https://openalex.org/C137836250","wikidata":"https://www.wikidata.org/wiki/Q984063","display_name":"Optimization problem","level":2,"score":0.4153584837913513},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.41470950841903687},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4142104983329773},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3967132568359375},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.322055459022522},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.10417994856834412},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/s0097-8485(02)00049-9","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(02)00049-9","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"},{"id":"pmid:12385479","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12385479","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":"Computers & chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","score":0.4099999964237213,"id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W81332608","https://openalex.org/W148648161","https://openalex.org/W267519721","https://openalex.org/W1483464737","https://openalex.org/W1499399028","https://openalex.org/W1510732345","https://openalex.org/W1971989870","https://openalex.org/W1976301832","https://openalex.org/W1979275139","https://openalex.org/W1981367768","https://openalex.org/W1984425167","https://openalex.org/W1988622494","https://openalex.org/W2022484305","https://openalex.org/W2022970702","https://openalex.org/W2051668769","https://openalex.org/W2056139823","https://openalex.org/W2057586259","https://openalex.org/W2068953026","https://openalex.org/W2072922906","https://openalex.org/W2076277939","https://openalex.org/W2081929325","https://openalex.org/W2088515272","https://openalex.org/W2090979769","https://openalex.org/W2098277088","https://openalex.org/W2104840146","https://openalex.org/W2132895267","https://openalex.org/W2147912439","https://openalex.org/W2149714238","https://openalex.org/W2603619701","https://openalex.org/W2894532621","https://openalex.org/W3092190982","https://openalex.org/W3108418035","https://openalex.org/W4242252525","https://openalex.org/W4302807930","https://openalex.org/W6609813678","https://openalex.org/W6784051523"],"related_works":["https://openalex.org/W2084616826","https://openalex.org/W2009796757","https://openalex.org/W1968202374","https://openalex.org/W2171477831","https://openalex.org/W3153884794","https://openalex.org/W2482371100","https://openalex.org/W1981037850","https://openalex.org/W125276123","https://openalex.org/W1978745934","https://openalex.org/W2354460058"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2018,"cited_by_count":4},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2012,"cited_by_count":2}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
