{"id":"https://openalex.org/W1972513090","doi":"https://doi.org/10.1007/s10822-005-9022-2","title":"Novel approach to evolutionary neural network based descriptor selection and QSAR model development","display_name":"Novel approach to evolutionary neural network based descriptor selection and QSAR model development","publication_year":2006,"publication_date":"2006-04-10","ids":{"openalex":"https://openalex.org/W1972513090","doi":"https://doi.org/10.1007/s10822-005-9022-2","mag":"1972513090","pmid":"https://pubmed.ncbi.nlm.nih.gov/16607572"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-005-9022-2","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-005-9022-2","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5029813939","display_name":"\u017deljko Debeljak","orcid":"https://orcid.org/0000-0002-1789-5387"},"institutions":[{"id":"https://openalex.org/I4210132274","display_name":"Klini\u010dki bolni\u010dki centar Osijek","ror":"https://ror.org/03vf51s41","country_code":"HR","type":"healthcare","lineage":["https://openalex.org/I4210132274"]}],"countries":["HR"],"is_corresponding":true,"raw_author_name":"\u017deljko Debeljak","raw_affiliation_strings":["Medicinal Biochemistry Department, Osijek Clinical Hospital, J. Huttlera 4, 31000, Osijek, Croatia. debeljak.zeljko@kbo.hr","Osijek Clinical Hospital"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Medicinal Biochemistry Department, Osijek Clinical Hospital, J. Huttlera 4, 31000, Osijek, Croatia. debeljak.zeljko@kbo.hr","institution_ids":["https://openalex.org/I4210132274"]},{"raw_affiliation_string":"Osijek Clinical Hospital","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075093653","display_name":"V. Marohnic","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Viktor Marohni\u0107","raw_affiliation_strings":["AVL-AST, Avenija Dubrovnik 10, 10000, Zagreb, Croatia","AVL-AST"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AVL-AST, Avenija Dubrovnik 10, 10000, Zagreb, Croatia","institution_ids":[]},{"raw_affiliation_string":"AVL-AST","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072289092","display_name":"Goran Sre\u010dnik","orcid":null},"institutions":[{"id":"https://openalex.org/I2802433978","display_name":"Pliva (Croatia)","ror":"https://ror.org/02cthxa95","country_code":"HR","type":"company","lineage":["https://openalex.org/I2802433978"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"Goran Sre\u010dnik","raw_affiliation_strings":["Analytical Development Department, PLIVA d.d., Prilaz Baruna Filipovi\u0107a 25, 10000, Zagreb, Croatia","PLIVA d.d"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Analytical Development Department, PLIVA d.d., Prilaz Baruna Filipovi\u0107a 25, 10000, Zagreb, Croatia","institution_ids":["https://openalex.org/I2802433978"]},{"raw_affiliation_string":"PLIVA d.d","institution_ids":["https://openalex.org/I2802433978"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112174031","display_name":"Marica Medi\u010d-\u0160ari\u0107","orcid":null},"institutions":[{"id":"https://openalex.org/I181343428","display_name":"University of Zagreb","ror":"https://ror.org/00mv6sv71","country_code":"HR","type":"education","lineage":["https://openalex.org/I181343428"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"Marica Medi\u0107-\u0160ari\u0107","raw_affiliation_strings":["Department of Medicinal Chemistry, Faculty of Pharmacy and Biochemistry, University of Zagreb, A. Kova\u010di\u0107a 1, 10000, Zagreb, Croatia","Univ. of Zagreb"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, Faculty of Pharmacy and Biochemistry, University of Zagreb, A. Kova\u010di\u0107a 1, 10000, Zagreb, Croatia","institution_ids":["https://openalex.org/I181343428"]},{"raw_affiliation_string":"Univ. of Zagreb","institution_ids":["https://openalex.org/I181343428"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5029813939"],"corresponding_institution_ids":["https://openalex.org/I4210132274"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.3231,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.59563334,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"19","issue":"12","first_page":"835","last_page":"855"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"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":0.9993000030517578,"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/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.992900013923645,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"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/T10876","display_name":"Fault Detection and Control Systems","score":0.9678999781608582,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.8999879956245422},{"id":"https://openalex.org/keywords/generalization","display_name":"Generalization","score":0.6869289875030518},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.5980976223945618},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5096137523651123},{"id":"https://openalex.org/keywords/stability","display_name":"Stability (learning theory)","score":0.48838919401168823},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.4864809215068817},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4767285883426666},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4598596394062042},{"id":"https://openalex.org/keywords/test-set","display_name":"Test set","score":0.45430973172187805},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.42214518785476685},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.38329657912254333}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8999879956245422},{"id":"https://openalex.org/C177148314","wikidata":"https://www.wikidata.org/wiki/Q170084","display_name":"Generalization","level":2,"score":0.6869289875030518},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5980976223945618},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5096137523651123},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.48838919401168823},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.4864809215068817},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4767285883426666},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4598596394062042},{"id":"https://openalex.org/C169903167","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Test set","level":2,"score":0.45430973172187805},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.42214518785476685},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.38329657912254333},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005075","descriptor_name":"Biological Evolution","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005075","descriptor_name":"Biological Evolution","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005075","descriptor_name":"Biological Evolution","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-005-9022-2","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-005-9022-2","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:16607572","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16607572","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W32535764","https://openalex.org/W85259421","https://openalex.org/W1511005663","https://openalex.org/W1550188907","https://openalex.org/W1564225675","https://openalex.org/W1571439140","https://openalex.org/W1680392829","https://openalex.org/W1965807998","https://openalex.org/W1973038589","https://openalex.org/W1975762142","https://openalex.org/W1977566906","https://openalex.org/W1988195734","https://openalex.org/W1990184714","https://openalex.org/W2001179019","https://openalex.org/W2010611103","https://openalex.org/W2015928143","https://openalex.org/W2017337590","https://openalex.org/W2023130417","https://openalex.org/W2030481457","https://openalex.org/W2030864041","https://openalex.org/W2037523753","https://openalex.org/W2041258408","https://openalex.org/W2051812123","https://openalex.org/W2053083051","https://openalex.org/W2074681440","https://openalex.org/W2081982874","https://openalex.org/W2084341220","https://openalex.org/W2087661061","https://openalex.org/W2104934474","https://openalex.org/W2114196051","https://openalex.org/W2124776405","https://openalex.org/W2126890481","https://openalex.org/W2127644822","https://openalex.org/W2136221867","https://openalex.org/W2146300243","https://openalex.org/W2150988027","https://openalex.org/W2203010869","https://openalex.org/W2285257517","https://openalex.org/W2791279190","https://openalex.org/W2911964244","https://openalex.org/W2912934387","https://openalex.org/W4247941544","https://openalex.org/W4285719527","https://openalex.org/W4298167067"],"related_works":["https://openalex.org/W2033669961","https://openalex.org/W2381411913","https://openalex.org/W2552368679","https://openalex.org/W2145045309","https://openalex.org/W1983510392","https://openalex.org/W2083497194","https://openalex.org/W2080075000","https://openalex.org/W2067050868","https://openalex.org/W2055461258","https://openalex.org/W3207991896"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":1}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}
