{"id":"https://openalex.org/W2136720150","doi":"https://doi.org/10.1109/bibmw.2010.5703855","title":"Develop integration modeling approach for discovery neuraminidase inhibitors in silico based on pharmacophore and CoMSIA models","display_name":"Develop integration modeling approach for discovery neuraminidase inhibitors in silico based on pharmacophore and CoMSIA models","publication_year":2010,"publication_date":"2010-12-01","ids":{"openalex":"https://openalex.org/W2136720150","doi":"https://doi.org/10.1109/bibmw.2010.5703855","mag":"2136720150"},"language":"en","primary_location":{"id":"doi:10.1109/bibmw.2010.5703855","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bibmw.2010.5703855","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops (BIBMW)","raw_type":"proceedings-article"},"type":"conference-paper","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/A5111850538","display_name":"Kuei\u2010Chung Shih","orcid":null},"institutions":[{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Kuei-Chung Shih","raw_affiliation_strings":["Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan","institution_ids":["https://openalex.org/I25846049"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101479832","display_name":"Chun\u2010Yuan Lin","orcid":"https://orcid.org/0000-0003-1796-6189"},"institutions":[{"id":"https://openalex.org/I173093425","display_name":"Chang Gung University","ror":"https://ror.org/00d80zx46","country_code":"TW","type":"education","lineage":["https://openalex.org/I173093425"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Chun-Yuan Lin","raw_affiliation_strings":["Department of Computer Science and Information Engineering, Chang Gung University, Tao-Yuan, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Information Engineering, Chang Gung University, Tao-Yuan, Taiwan","institution_ids":["https://openalex.org/I173093425"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033613520","display_name":"Jiayi Zhou","orcid":"https://orcid.org/0000-0002-3274-1802"},"institutions":[{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Jiayi Zhou","raw_affiliation_strings":["Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan","institution_ids":["https://openalex.org/I25846049"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102282668","display_name":"Shih\u2010Han Huang","orcid":null},"institutions":[{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Shih-Han Huang","raw_affiliation_strings":["Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan","institution_ids":["https://openalex.org/I25846049"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101474162","display_name":"Chuan Yi Tang","orcid":"https://orcid.org/0000-0003-0729-1624"},"institutions":[{"id":"https://openalex.org/I177918364","display_name":"Providence University","ror":"https://ror.org/03fcpsq87","country_code":"TW","type":"education","lineage":["https://openalex.org/I177918364"]},{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Chuan-Yi Tang","raw_affiliation_strings":["Department of Computer Science and Information Engineering, Providence University, Taichung, Taiwan","Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Information Engineering, Providence University, Taichung, Taiwan","institution_ids":["https://openalex.org/I177918364"]},{"raw_affiliation_string":"Department of Computer Science, National Tsing Hua University, Hsinchu, Taiwan","institution_ids":["https://openalex.org/I25846049"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":"49","issue":null,"first_page":"518","last_page":"524"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10167","display_name":"Influenza Virus Research Studies","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10167","display_name":"Influenza Virus Research Studies","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9983000159263611,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9961000084877014,"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/pharmacophore","display_name":"Pharmacophore","score":0.9089584350585938},{"id":"https://openalex.org/keywords/zanamivir","display_name":"Zanamivir","score":0.8879304528236389},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.7730140686035156},{"id":"https://openalex.org/keywords/neuraminidase","display_name":"Neuraminidase","score":0.7525039911270142},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5861918330192566},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4883405864238739},{"id":"https://openalex.org/keywords/neuraminidase-inhibitor","display_name":"Neuraminidase inhibitor","score":0.4841811954975128},{"id":"https://openalex.org/keywords/oseltamivir","display_name":"Oseltamivir","score":0.46228933334350586},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.4201415777206421},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.41615837812423706},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4022444486618042},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.2057076096534729},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.18689274787902832},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1773757040500641},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.15199804306030273},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.13792943954467773},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.06873160600662231},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.06545495986938477}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9089584350585938},{"id":"https://openalex.org/C2781442963","wikidata":"https://www.wikidata.org/wiki/Q146075","display_name":"Zanamivir","level":5,"score":0.8879304528236389},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7730140686035156},{"id":"https://openalex.org/C134164806","wikidata":"https://www.wikidata.org/wiki/Q409485","display_name":"Neuraminidase","level":3,"score":0.7525039911270142},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5861918330192566},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4883405864238739},{"id":"https://openalex.org/C2777538117","wikidata":"https://www.wikidata.org/wiki/Q425196","display_name":"Neuraminidase inhibitor","level":5,"score":0.4841811954975128},{"id":"https://openalex.org/C2780374985","wikidata":"https://www.wikidata.org/wiki/Q211509","display_name":"Oseltamivir","level":5,"score":0.46228933334350586},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.4201415777206421},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.41615837812423706},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4022444486618042},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2057076096534729},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.18689274787902832},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1773757040500641},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.15199804306030273},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.13792943954467773},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.06873160600662231},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.06545495986938477},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C524204448","wikidata":"https://www.wikidata.org/wiki/Q788926","display_name":"Infectious disease (medical specialty)","level":3,"score":0.0},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/bibmw.2010.5703855","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bibmw.2010.5703855","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops (BIBMW)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.7099999785423279}],"awards":[],"funders":[{"id":"https://openalex.org/F4320321040","display_name":"National Science Council","ror":"https://ror.org/02kv4zf79"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W1598417225","https://openalex.org/W1963675143","https://openalex.org/W1980017694","https://openalex.org/W1980574772","https://openalex.org/W1999957113","https://openalex.org/W2002496335","https://openalex.org/W2016662410","https://openalex.org/W2022613180","https://openalex.org/W2026470547","https://openalex.org/W2026610312","https://openalex.org/W2028129465","https://openalex.org/W2032395997","https://openalex.org/W2035088373","https://openalex.org/W2045911039","https://openalex.org/W2048074160","https://openalex.org/W2056757665","https://openalex.org/W2063205025","https://openalex.org/W2075212292","https://openalex.org/W2076351642","https://openalex.org/W2078585318","https://openalex.org/W2079685721","https://openalex.org/W2083289591","https://openalex.org/W2087543876","https://openalex.org/W2104397822","https://openalex.org/W2115202260","https://openalex.org/W2117880722","https://openalex.org/W2125734519","https://openalex.org/W2140374568","https://openalex.org/W2141921564","https://openalex.org/W2162166182","https://openalex.org/W2162234175","https://openalex.org/W2167289817","https://openalex.org/W2171528791","https://openalex.org/W2178825899","https://openalex.org/W2210962940"],"related_works":["https://openalex.org/W2159382969","https://openalex.org/W2132657130","https://openalex.org/W1983513198","https://openalex.org/W2123034187","https://openalex.org/W2079879957","https://openalex.org/W2165202620","https://openalex.org/W3217119701","https://openalex.org/W2042995083","https://openalex.org/W1966462939","https://openalex.org/W2669833209"],"abstract_inverted_index":{"Neuraminidase":[0],"(NA)":[1],"is":[2,27,75],"an":[3],"important":[4],"target":[5],"for":[6],"influenza":[7],"A":[8],"virus":[9],"treatment,":[10],"such":[11],"as":[12],"Zanamivir":[13],"and":[14,50,58,84,126],"oseltamivir":[15],"both":[16],"are":[17],"sialic":[18],"acid":[19],"analog":[20],"inhibitors":[21,112,122],"of":[22,38,65,89],"NA.":[23],"Quantitative":[24],"Structure-Activity":[25],"Relationships":[26],"a":[28,97],"widely":[29],"adapted":[30],"computational":[31],"method":[32],"that":[33],"correlates":[34],"the":[35,55,60,80,86,108],"structural":[36],"properties":[37],"compounds":[39],"with":[40],"their":[41],"biological":[42],"activities.":[43],"The":[44,68],"pharmcophore":[45],"model":[46,74],"can":[47,123],"be":[48,124],"easily":[49,76],"quickly":[51],"used":[52,77],"to":[53,78,101,113],"recognize":[54],"related":[56],"inhibitors,":[57],"fit":[59],"binding":[61],"site":[62],"interaction":[63],"features":[64],"protein":[66],"structure.":[67],"Comparative":[69],"Molecular":[70],"Similarity":[71],"Index":[72],"Analysis":[73],"modify":[79],"molecule":[81,90],"structure":[82],"optimization,":[83],"describe":[85],"limit":[87],"range":[88],"weights.":[91],"In":[92],"this":[93],"study,":[94],"we":[95],"propose":[96],"combination":[98],"application":[99],"approach":[100],"integrate":[102],"these":[103],"two":[104],"models":[105],"based":[106],"on":[107],"same":[109],"training":[110],"set":[111],"identify":[114],"NA":[115,121],"inhibitor":[116],"candidates.":[117],"Hence,":[118],"discovering":[119],"novel":[120],"screened":[125],"optimized":[127],"by":[128],"using":[129],"our":[130],"drug":[131],"design":[132],"approach.":[133]},"counts_by_year":[],"updated_date":"2026-07-14T23:27:15.235271","created_date":"2025-10-10T00:00:00"}