{"id":"https://openalex.org/W4229639188","doi":"https://doi.org/10.1021/ci9600216","title":"Orthosimilarity","display_name":"Orthosimilarity","publication_year":1996,"publication_date":"1996-01-01","ids":{"openalex":"https://openalex.org/W4229639188","doi":"https://doi.org/10.1021/ci9600216"},"language":"en","primary_location":{"id":"doi:10.1021/ci9600216","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9600216","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","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/A5081252768","display_name":"Milan Randi\u0107","orcid":"https://orcid.org/0000-0002-1169-4701"},"institutions":[{"id":"https://openalex.org/I87213936","display_name":"Drake University","ror":"https://ror.org/001skmk61","country_code":"US","type":"education","lineage":["https://openalex.org/I87213936"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Milan Randi\u0107","raw_affiliation_strings":["Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa 50311"],"affiliations":[{"raw_affiliation_string":"Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa 50311","institution_ids":["https://openalex.org/I87213936"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5081252768"],"corresponding_institution_ids":["https://openalex.org/I87213936"],"apc_list":null,"apc_paid":null,"fwci":1.0117,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.79284155,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"36","issue":"6","first_page":"1092","last_page":"1097"},"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/T13013","display_name":"Free Radicals and Antioxidants","score":0.9904999732971191,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T12748","display_name":"Molecular spectroscopy and chirality","score":0.9900000095367432,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.724783182144165},{"id":"https://openalex.org/keywords/degeneracy","display_name":"Degeneracy (biology)","score":0.6540229916572571},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.6127191185951233},{"id":"https://openalex.org/keywords/octane","display_name":"Octane","score":0.5935140252113342},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4989950656890869},{"id":"https://openalex.org/keywords/degree","display_name":"Degree (music)","score":0.49410155415534973},{"id":"https://openalex.org/keywords/path","display_name":"Path (computing)","score":0.4604748785495758},{"id":"https://openalex.org/keywords/table","display_name":"Table (database)","score":0.4407358169555664},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.40229281783103943},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3677216172218323},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.342357873916626},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.33814114332199097},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.33224695920944214},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.31230467557907104},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.27091550827026367},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.24483895301818848},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.13354703783988953},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.10287249088287354},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.07211115956306458},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.05600443482398987}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.724783182144165},{"id":"https://openalex.org/C2777727622","wikidata":"https://www.wikidata.org/wiki/Q5251772","display_name":"Degeneracy (biology)","level":2,"score":0.6540229916572571},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.6127191185951233},{"id":"https://openalex.org/C2776624427","wikidata":"https://www.wikidata.org/wiki/Q150681","display_name":"Octane","level":2,"score":0.5935140252113342},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4989950656890869},{"id":"https://openalex.org/C2775997480","wikidata":"https://www.wikidata.org/wiki/Q586277","display_name":"Degree (music)","level":2,"score":0.49410155415534973},{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.4604748785495758},{"id":"https://openalex.org/C45235069","wikidata":"https://www.wikidata.org/wiki/Q278425","display_name":"Table (database)","level":2,"score":0.4407358169555664},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.40229281783103943},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3677216172218323},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.342357873916626},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.33814114332199097},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.33224695920944214},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.31230467557907104},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.27091550827026367},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24483895301818848},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.13354703783988953},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.10287249088287354},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.07211115956306458},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.05600443482398987},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"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/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci9600216","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9600216","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","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":13,"referenced_works":["https://openalex.org/W376626748","https://openalex.org/W1605923270","https://openalex.org/W1976442658","https://openalex.org/W2013925500","https://openalex.org/W2035530345","https://openalex.org/W2035554859","https://openalex.org/W2061867556","https://openalex.org/W2062613486","https://openalex.org/W2067091680","https://openalex.org/W2070426224","https://openalex.org/W2081347849","https://openalex.org/W2102692627","https://openalex.org/W4252521233"],"related_works":["https://openalex.org/W2372940580","https://openalex.org/W2101113459","https://openalex.org/W2187706389","https://openalex.org/W1970824047","https://openalex.org/W1941883603","https://openalex.org/W1842556415","https://openalex.org/W4252688432","https://openalex.org/W3161230432","https://openalex.org/W2555734889","https://openalex.org/W4390876740"],"abstract_inverted_index":{"Because":[0],"of":[1,4,16,23,30,50,57,88],"the":[2,6,11,28,54,58,62,72,81,86],"interdependence":[3,87],"descriptors,":[5],"traditional":[7],"approach":[8,35,95],"to":[9,79,98],"estimate":[10],"similarity":[12,31],"for":[13,26,38,65],"a":[14],"set":[15],"structures":[17],"is":[18,36,74],"biased.":[19],"We":[20],"describe":[21],"use":[22],"orthogonalized":[24,51],"descriptors":[25,52,90],"determining":[27],"degree":[29,56],"among":[32],"molecules.":[33],"The":[34,68,94],"illustrated":[37],"octane":[39,66],"isomers":[40],"when":[41],"path":[42],"numbers":[43],"are":[44],"used":[45],"as":[46,101],"molecular":[47,89,110],"descriptors.":[48],"Use":[49],"removed":[53],"high":[55],"degeneracy":[59],"that":[60],"characterized":[61,104],"similarity/dissimilarity":[63],"table":[64],"isomers.":[67],"method":[69],"outlined":[70],"in":[71],"article":[73],"general.":[75],"It":[76],"allows":[77],"one":[78],"eliminate":[80],"inherent":[82],"bias":[83],"caused":[84],"by":[85,105],"(mathematical":[91],"or":[92],"not).":[93],"equally":[96],"applies":[97],"compounds":[99],"viewed":[100],"three-dimensional":[102,109],"objects":[103],"invariants":[106],"based":[107],"on":[108],"data.":[111]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2022-05-11T00:00:00"}