{"id":"https://openalex.org/W2021733867","doi":"https://doi.org/10.1021/ci990267l","title":"Substructure Isomorphism Matrix","display_name":"Substructure Isomorphism Matrix","publication_year":2000,"publication_date":"2000-01-08","ids":{"openalex":"https://openalex.org/W2021733867","doi":"https://doi.org/10.1021/ci990267l","mag":"2021733867","pmid":"https://pubmed.ncbi.nlm.nih.gov/10761132"},"language":"en","primary_location":{"id":"doi:10.1021/ci990267l","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci990267l","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","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/A5022882863","display_name":"\u041a\u0443\u0440\u0442 \u0412\u0430\u0440\u043c\u0443\u0437\u0430","orcid":"https://orcid.org/0000-0002-3534-4001"},"institutions":[{"id":"https://openalex.org/I145847075","display_name":"TU Wien","ror":"https://ror.org/04d836q62","country_code":"AT","type":"education","lineage":["https://openalex.org/I145847075"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"K. Varmuza","raw_affiliation_strings":["Laboratory for Chemometrics, Institute of Food Chemistry, Vienna University of Technology, A-1060 Vienna, Getreidemarkt 9/160, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory for Chemometrics, Institute of Food Chemistry, Vienna University of Technology, A-1060 Vienna, Getreidemarkt 9/160, Austria","institution_ids":["https://openalex.org/I145847075"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046464874","display_name":"H. Scsibrany","orcid":null},"institutions":[{"id":"https://openalex.org/I145847075","display_name":"TU Wien","ror":"https://ror.org/04d836q62","country_code":"AT","type":"education","lineage":["https://openalex.org/I145847075"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"H. Scsibrany","raw_affiliation_strings":["Laboratory for Chemometrics, Institute of Food Chemistry, Vienna University of Technology, A-1060 Vienna, Getreidemarkt 9/160, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory for Chemometrics, Institute of Food Chemistry, Vienna University of Technology, A-1060 Vienna, Getreidemarkt 9/160, Austria","institution_ids":["https://openalex.org/I145847075"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5022882863"],"corresponding_institution_ids":["https://openalex.org/I145847075"],"apc_list":null,"apc_paid":null,"fwci":3.2582,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.91720173,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"40","issue":"2","first_page":"308","last_page":"313"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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/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"}},{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9896000027656555,"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/substructure","display_name":"Substructure","score":0.9400037527084351},{"id":"https://openalex.org/keywords/isomorphism","display_name":"Isomorphism (crystallography)","score":0.777145266532898},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.6204143166542053},{"id":"https://openalex.org/keywords/binary-number","display_name":"Binary number","score":0.4422316253185272},{"id":"https://openalex.org/keywords/hierarchy","display_name":"Hierarchy","score":0.4210089147090912},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.38113027811050415},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3771156370639801},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.36695122718811035},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.23905950784683228},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"Crystal structure","score":0.19823312759399414},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.15879487991333008},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.15327581763267517},{"id":"https://openalex.org/keywords/structural-engineering","display_name":"Structural engineering","score":0.08940914273262024},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.08334752917289734},{"id":"https://openalex.org/keywords/arithmetic","display_name":"Arithmetic","score":0.07847681641578674}],"concepts":[{"id":"https://openalex.org/C99679407","wikidata":"https://www.wikidata.org/wiki/Q56761637","display_name":"Substructure","level":2,"score":0.9400037527084351},{"id":"https://openalex.org/C203436722","wikidata":"https://www.wikidata.org/wiki/Q902950","display_name":"Isomorphism (crystallography)","level":3,"score":0.777145266532898},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.6204143166542053},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.4422316253185272},{"id":"https://openalex.org/C31170391","wikidata":"https://www.wikidata.org/wiki/Q188619","display_name":"Hierarchy","level":2,"score":0.4210089147090912},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38113027811050415},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3771156370639801},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.36695122718811035},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.23905950784683228},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.19823312759399414},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.15879487991333008},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15327581763267517},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.08940914273262024},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.08334752917289734},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.07847681641578674},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C34447519","wikidata":"https://www.wikidata.org/wiki/Q179522","display_name":"Market economy","level":1,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci990267l","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci990267l","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"},{"id":"pmid:10761132","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/10761132","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 chemical information and computer sciences","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Sustainable cities and communities","score":0.4300000071525574,"id":"https://metadata.un.org/sdg/11"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":6,"referenced_works":["https://openalex.org/W1972041413","https://openalex.org/W2041682782","https://openalex.org/W2100148914","https://openalex.org/W2949435151","https://openalex.org/W2991288991","https://openalex.org/W3142152711"],"related_works":["https://openalex.org/W3153444835","https://openalex.org/W2153916713","https://openalex.org/W2023846184","https://openalex.org/W2703419385","https://openalex.org/W2329056228","https://openalex.org/W2284584236","https://openalex.org/W1979083399","https://openalex.org/W2344320748","https://openalex.org/W2374530195","https://openalex.org/W2953357932"],"abstract_inverted_index":{"A":[0,52,87],"substructure":[1,54],"isomorphism":[2,55],"matrix":[3,31,56,75],"n":[4,24,57,59,85],"x":[5,58],"p":[6,15],"contains":[7,76],"binary":[8],"elements":[9],"describing":[10],"which":[11],"of":[12,21,39,49,83,90,98],"the":[13,22,37,40,45,63,80,84,96],"given":[14,23],"query":[16],"structures":[17,26,42,65,70,92],"(substructures)":[18],"are":[19,66],"part":[20],"target":[25,41],"(molecular":[27],"structures).":[28],"Such":[29],"a":[30],"can":[32],"be":[33],"used":[34,67],"to":[35],"investigate":[36],"diversity":[38],"and":[43,47,71],"allows":[44],"characterization":[46],"comparison":[48],"structural":[50],"libraries.":[51],"quadratic":[53],"is":[60,93],"obtained":[61,100],"if":[62],"same":[64],"as":[68,72],"molecular":[69],"substructures;":[73],"this":[74],"full":[77],"information":[78],"about":[79],"topological":[81],"hierarchy":[82],"structures.":[86],"hierarchical":[88],"arrangement":[89],"chemical":[91],"useful":[94],"for":[95],"evaluation":[97],"results":[99],"from":[101],"searches":[102],"in":[103],"structure":[104],"databases.":[105]},"counts_by_year":[{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2016-06-24T00:00:00"}