{"id":"https://openalex.org/W2001942448","doi":"https://doi.org/10.1016/s0097-8485(96)00037-x","title":"Neural network-molecular descriptors approach to the prediction of properties of alkenes","display_name":"Neural network-molecular descriptors approach to the prediction of properties of alkenes","publication_year":1997,"publication_date":"1997-01-01","ids":{"openalex":"https://openalex.org/W2001942448","doi":"https://doi.org/10.1016/s0097-8485(96)00037-x","mag":"2001942448"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(96)00037-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(96)00037-x","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 & Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://202.201.7.4:8080/handle/262010/80544","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5088612057","display_name":"Ruisheng Zhang","orcid":"https://orcid.org/0000-0002-6585-2656"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ruisheng Zhang","raw_affiliation_strings":["Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100763282","display_name":"Shuhui Liu","orcid":"https://orcid.org/0000-0002-8196-6880"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shuhui Liu","raw_affiliation_strings":["Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082489074","display_name":"Mancang Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Mancang Liu","raw_affiliation_strings":["Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000774563","display_name":"Zhide Hu","orcid":"https://orcid.org/0000-0003-3679-4992"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhide Hu","raw_affiliation_strings":["Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Lanzhou University, Lanzhou, Gansu 730000, P.R. of China","institution_ids":["https://openalex.org/I76214153"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5082489074"],"corresponding_institution_ids":["https://openalex.org/I76214153"],"apc_list":null,"apc_paid":null,"fwci":2.5855,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.88860341,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"21","issue":"5","first_page":"335","last_page":"341"},"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":0.9758999943733215,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9623000025749207,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"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"}}],"keywords":[{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.6764251589775085},{"id":"https://openalex.org/keywords/absolute-deviation","display_name":"Absolute deviation","score":0.6668553352355957},{"id":"https://openalex.org/keywords/alkene","display_name":"Alkene","score":0.6234955191612244},{"id":"https://openalex.org/keywords/boiling-point","display_name":"Boiling point","score":0.5719379782676697},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.5200595259666443},{"id":"https://openalex.org/keywords/distance-matrix","display_name":"Distance matrix","score":0.5083312392234802},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.4818342924118042},{"id":"https://openalex.org/keywords/polarity","display_name":"Polarity (international relations)","score":0.46490228176116943},{"id":"https://openalex.org/keywords/enantiomer","display_name":"Enantiomer","score":0.43785354495048523},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4252280592918396},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3754892945289612},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3555331826210022},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.2069956362247467},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.16330155730247498},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.15493431687355042},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.14326819777488708},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.11130812764167786},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.10274657607078552},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08979210257530212}],"concepts":[{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6764251589775085},{"id":"https://openalex.org/C120934525","wikidata":"https://www.wikidata.org/wiki/Q849149","display_name":"Absolute deviation","level":2,"score":0.6668553352355957},{"id":"https://openalex.org/C2776254738","wikidata":"https://www.wikidata.org/wiki/Q81406","display_name":"Alkene","level":3,"score":0.6234955191612244},{"id":"https://openalex.org/C188596812","wikidata":"https://www.wikidata.org/wiki/Q1003183","display_name":"Boiling point","level":2,"score":0.5719379782676697},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5200595259666443},{"id":"https://openalex.org/C111208986","wikidata":"https://www.wikidata.org/wiki/Q901698","display_name":"Distance matrix","level":2,"score":0.5083312392234802},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.4818342924118042},{"id":"https://openalex.org/C2777361361","wikidata":"https://www.wikidata.org/wiki/Q1112585","display_name":"Polarity (international relations)","level":3,"score":0.46490228176116943},{"id":"https://openalex.org/C486523","wikidata":"https://www.wikidata.org/wiki/Q494483","display_name":"Enantiomer","level":2,"score":0.43785354495048523},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4252280592918396},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3754892945289612},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3555331826210022},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2069956362247467},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.16330155730247498},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.15493431687355042},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.14326819777488708},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.11130812764167786},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.10274657607078552},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08979210257530212},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C1491633281","wikidata":"https://www.wikidata.org/wiki/Q7868","display_name":"Cell","level":2,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/s0097-8485(96)00037-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(96)00037-x","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 & Chemistry","raw_type":"journal-article"},{"id":"pmh:oai:ir.lzu.edu.cn/:262010/80544","is_oa":true,"landing_page_url":"http://202.201.7.4:8080/handle/262010/80544","pdf_url":null,"source":{"id":"https://openalex.org/S4406923049","display_name":"Lanzhou University Institutional Repository","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":{"id":"pmh:oai:ir.lzu.edu.cn/:262010/80544","is_oa":true,"landing_page_url":"http://202.201.7.4:8080/handle/262010/80544","pdf_url":null,"source":{"id":"https://openalex.org/S4406923049","display_name":"Lanzhou University Institutional Repository","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":28,"referenced_works":["https://openalex.org/W270729649","https://openalex.org/W605004440","https://openalex.org/W1565640256","https://openalex.org/W1965010629","https://openalex.org/W1985781802","https://openalex.org/W1996078130","https://openalex.org/W2009507792","https://openalex.org/W2017123832","https://openalex.org/W2020603915","https://openalex.org/W2021663692","https://openalex.org/W2025653905","https://openalex.org/W2030715569","https://openalex.org/W2042252314","https://openalex.org/W2048060899","https://openalex.org/W2056414302","https://openalex.org/W2058921796","https://openalex.org/W2091823093","https://openalex.org/W2092173430","https://openalex.org/W2119423166","https://openalex.org/W2127644822","https://openalex.org/W2132905138","https://openalex.org/W2155682761","https://openalex.org/W2318794083","https://openalex.org/W2890747390","https://openalex.org/W4240502307","https://openalex.org/W4249367555","https://openalex.org/W4253934678","https://openalex.org/W4376530316"],"related_works":["https://openalex.org/W2042340955","https://openalex.org/W2100951920","https://openalex.org/W2106081726","https://openalex.org/W2080515355","https://openalex.org/W1968724615","https://openalex.org/W2953270414","https://openalex.org/W2951672610","https://openalex.org/W2949752743","https://openalex.org/W2117845014","https://openalex.org/W2001942448"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}