{"id":"https://openalex.org/W2948481703","doi":"https://doi.org/10.1504/ijista.2019.10021692","title":"Similarity searching in ligand-based virtual screening using different fingerprints and different similarity coefficients","display_name":"Similarity searching in ligand-based virtual screening using different fingerprints and different similarity coefficients","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W2948481703","doi":"https://doi.org/10.1504/ijista.2019.10021692","mag":"2948481703"},"language":"en","primary_location":{"id":"doi:10.1504/ijista.2019.10021692","is_oa":false,"landing_page_url":"https://doi.org/10.1504/ijista.2019.10021692","pdf_url":null,"source":{"id":"https://openalex.org/S142907639","display_name":"International Journal of Intelligent Systems Technologies and Applications","issn_l":"1740-8865","issn":["1740-8865","1740-8873"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310317825","host_organization_name":"Inderscience Publishers","host_organization_lineage":["https://openalex.org/P4310317825"],"host_organization_lineage_names":["Inderscience Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Intelligent Systems Technologies and Applications","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/A5022210454","display_name":"Hentabli Hamza","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Hentabli Hamza","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018312503","display_name":"Faisal Saeed","orcid":"https://orcid.org/0000-0002-2822-1708"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Faisal Saeed","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068969975","display_name":"Hacene Belhadef","orcid":"https://orcid.org/0000-0001-7313-5406"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Belhadef Hacene","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5021051701","display_name":"Fouaz Berrhail","orcid":"https://orcid.org/0000-0001-7986-3578"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Berrhail Fouaz","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5022210454"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.582,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.69086011,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"18","issue":"4","first_page":"405","last_page":"405"},"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"}}],"keywords":[{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.7904418706893921},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.6278435587882996},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5255019664764404},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5057220458984375},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.4803284704685211},{"id":"https://openalex.org/keywords/nearest-neighbor-search","display_name":"Nearest neighbor search","score":0.4566071033477783},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3724340796470642},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.1258184015750885},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.09511536359786987},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.0844031274318695},{"id":"https://openalex.org/keywords/image","display_name":"Image (mathematics)","score":0.07042664289474487}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.7904418706893921},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.6278435587882996},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5255019664764404},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5057220458984375},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.4803284704685211},{"id":"https://openalex.org/C116738811","wikidata":"https://www.wikidata.org/wiki/Q608751","display_name":"Nearest neighbor search","level":2,"score":0.4566071033477783},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3724340796470642},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1258184015750885},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.09511536359786987},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0844031274318695},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.07042664289474487}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1504/ijista.2019.10021692","is_oa":false,"landing_page_url":"https://doi.org/10.1504/ijista.2019.10021692","pdf_url":null,"source":{"id":"https://openalex.org/S142907639","display_name":"International Journal of Intelligent Systems Technologies and Applications","issn_l":"1740-8865","issn":["1740-8865","1740-8873"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310317825","host_organization_name":"Inderscience Publishers","host_organization_lineage":["https://openalex.org/P4310317825"],"host_organization_lineage_names":["Inderscience Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Intelligent Systems Technologies and Applications","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1992095612","https://openalex.org/W2075688075","https://openalex.org/W1990552457","https://openalex.org/W2052943632","https://openalex.org/W2146638661","https://openalex.org/W1571610579","https://openalex.org/W2810411779","https://openalex.org/W1994440731","https://openalex.org/W2124135342","https://openalex.org/W2094558138"],"abstract_inverted_index":{"Similarity":[0],"searching":[1],"plays":[2],"an":[3,59],"increasingly":[4],"important":[5],"role":[6],"in":[7,31,41,104,111,125,154,161,186,191],"virtual":[8,132,156],"screening.":[9,133],"It":[10],"is":[11,63,98],"a":[12],"screening":[13,157],"technique":[14],"that":[15],"works":[16],"by":[17],"comparing":[18],"the":[19,22,26,32,48,51,55,69,72,87,101,108,115,143,164,172],"features":[20,27],"of":[21,28,34,50,65,74,76,89,107,145,149,179],"target":[23,52],"compound":[24,30,53],"with":[25,58,181,193],"each":[29],"database":[33,56,102],"compounds.":[35,117],"This":[36],"comparison":[37],"can":[38],"be":[39],"described":[40],"three":[42],"steps.":[43],"The":[44,79,95],"first":[45],"step":[46,81,97],"involves":[47],"representation":[49],"and":[54,120,129,151],"compounds":[57,77,93,103],"equivalent":[60],"representation,":[61],"which":[62],"set":[64],"binary":[66],"elements":[67],"describing":[68],"presence":[70],"or":[71],"absence":[73],"attributes":[75],"(fingerprint).":[78],"second":[80],"uses":[82],"similarity":[83,90,109,152],"coefficient":[84,153],"to":[85,99,113,127,141,170,188],"calculate":[86],"score":[88],"between":[91],"two":[92],"representation.":[94],"third":[96],"rank":[100],"appropriate":[105],"order":[106,112],"score,":[110],"determine":[114],"actives":[116],"Many":[118],"approaches":[119],"techniques":[121],"have":[122],"been":[123],"introduced":[124],"literature":[126],"enhancing":[128],"improving":[130],"similarity-based":[131],"In":[134],"this":[135,162],"work,":[136],"our":[137],"primary":[138],"interests":[139],"are":[140],"investigate":[142],"effect":[144],"using":[146],"different":[147,173],"combinations":[148,174,180],"fingerprint":[150],"ligand-based":[155],"(LBVS).":[158],"We":[159],"use":[160],"investigation":[163],"MDDR":[165],"(drug":[166],"data":[167],"report":[168],"database)":[169],"evaluate":[171],"descriptor-coefficient.":[175],"Some":[176],"obtained":[177,190],"results":[178],"some":[182],"coefficients":[183],"demonstrate":[184],"superiority":[185],"performances":[187],"these":[189],"combination":[192],"Tanimoto":[194],"coefficient.":[195]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}