{"id":"https://openalex.org/W2033477455","doi":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","title":"\u201eGrundger\u00fcstwechsel\u201c (Scaffold-Hopping) durch topologische Pharmakophorsuche: ein Beitrag zum virtuellen Screening","display_name":"\u201eGrundger\u00fcstwechsel\u201c (Scaffold-Hopping) durch topologische Pharmakophorsuche: ein Beitrag zum virtuellen Screening","publication_year":1999,"publication_date":"1999-10-04","ids":{"openalex":"https://openalex.org/W2033477455","doi":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","mag":"2033477455"},"language":"de","primary_location":{"id":"doi:10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","doi":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","pdf_url":null,"source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Angewandte Chemie","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/%28SICI%291521-3757%2819991004%29111%3A19%3C3068%3A%3AAID-ANGE3068%3E3.0.CO%3B2-0","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5028135456","display_name":"Gisbert Schneider","orcid":"https://orcid.org/0000-0001-6706-1084","observed_orcids":["https://orcid.org/0000-0001-6706-1084","https://orcid.org/0000-0002-0702-6428"]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Gisbert Schneider","raw_affiliation_strings":["Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","institution_ids":["https://openalex.org/I118019719"]},{"raw_affiliation_string":"Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061147310","display_name":"Werner L. Neidhart","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Werner Neidhart","raw_affiliation_strings":["Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","institution_ids":["https://openalex.org/I118019719"]},{"raw_affiliation_string":"Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016286690","display_name":"Thomas Giller","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Thomas Giller","raw_affiliation_strings":["Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","institution_ids":["https://openalex.org/I118019719"]},{"raw_affiliation_string":"Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"last","author":{"id":null,"display_name":"Gerard Schmid","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"F. Hoffmann-La Roche AG","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Gerard Schmid","raw_affiliation_strings":["Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel (Schweiz),","institution_ids":["https://openalex.org/I118019719"]},{"raw_affiliation_string":"Hoffmann\u2010La Roche, Pharmaceuticals Division, CH\u20104070 Basel (Schweiz), Fax: (+41)\u200961\u2010688\u20109041","institution_ids":["https://openalex.org/I118019719"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5028135456"],"corresponding_institution_ids":["https://openalex.org/I118019719"],"apc_list":{"value":5790,"currency":"USD","value_usd":5790},"apc_paid":null,"fwci":1.014,"has_fulltext":false,"cited_by_count":52,"citation_normalized_percentile":{"value":0.71894832,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":98},"biblio":{"volume":"111","issue":"19","first_page":"3068","last_page":"3070"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":9.999999747378752e-05,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":9.999999747378752e-05,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/scaffold-hopping","display_name":"scaffold hopping","score":0.9700000286102295},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.9700000286102295},{"id":"https://openalex.org/keywords/calcium-channel-blockers","display_name":"calcium channel blockers","score":0.7570000290870667},{"id":"https://openalex.org/keywords/hit-identification","display_name":"hit identification","score":0.3970000147819519}],"concepts":[{"id":"https://openalex.org/C15708023","wikidata":"https://www.wikidata.org/wiki/Q80083","display_name":"Humanities","level":1,"score":0.42093753814697266},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3922477066516876},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.38083475828170776},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33455994725227356},{"id":"https://openalex.org/C29456083","wikidata":"https://www.wikidata.org/wiki/Q1221899","display_name":"Gynecology","level":1,"score":0.32209500670433044},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.32200029492378235},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.24961674213409424},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1015150249004364}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","doi":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.0.co;2-0","pdf_url":null,"source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Angewandte Chemie","raw_type":"journal-article"},{"id":"doi:10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.3.co;2-s","doi":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.3.co;2-s","is_oa":true,"landing_page_url":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.3.co;2-s","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/%28SICI%291521-3757%2819991004%29111%3A19%3C3068%3A%3AAID-ANGE3068%3E3.0.CO%3B2-0","source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Angewandte Chemie","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.3.co;2-s","doi":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.3.co;2-s","is_oa":true,"landing_page_url":"https://doi.org/10.1002/(sici)1521-3757(19991004)111:19<3068::aid-ange3068>3.3.co;2-s","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/%28SICI%291521-3757%2819991004%29111%3A19%3C3068%3A%3AAID-ANGE3068%3E3.0.CO%3B2-0","source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Angewandte Chemie","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2033477455.pdf","grobid_xml":"https://content.openalex.org/works/W2033477455.grobid-xml"},"referenced_works_count":20,"referenced_works":["https://openalex.org/W197413318","https://openalex.org/W1538011504","https://openalex.org/W1964478268","https://openalex.org/W1973038589","https://openalex.org/W1981214699","https://openalex.org/W1996793152","https://openalex.org/W2020509520","https://openalex.org/W2031337267","https://openalex.org/W2033293438","https://openalex.org/W2046550159","https://openalex.org/W2058444859","https://openalex.org/W2063428251","https://openalex.org/W2068253450","https://openalex.org/W2070473979","https://openalex.org/W2085312881","https://openalex.org/W2088522769","https://openalex.org/W2094103435","https://openalex.org/W2096729078","https://openalex.org/W2110350521","https://openalex.org/W2132797470"],"related_works":["https://openalex.org/W2031372687","https://openalex.org/W2039727246","https://openalex.org/W7096843936","https://openalex.org/W2029865295","https://openalex.org/W2788857178","https://openalex.org/W2053112186","https://openalex.org/W7100531417","https://openalex.org/W3193565152","https://openalex.org/W4395081503","https://openalex.org/W2094817601"],"abstract_inverted_index":{"Eine":[0],"chemisch":[1],"gest\u00fctzte":[2],"Templatsuche":[3],"(CATS=chemically":[4],"advanced":[5],"template":[6],"search),":[7],"die":[8,45],"auf":[9,25],"topologischen":[10],"Pharmakophor-Modellen":[11],"basiert,":[12],"wurde":[13],"als":[14],"Arbeitstechnik":[15],"f\u00fcr":[16],"virtuelles":[17],"Screening":[18],"entwickelt.":[19],"Mit":[20],"dieser":[21],"Methode":[22],"gelang":[23],"es,":[24],"der":[26],"Grundlage":[27],"einer":[28,31],"Korrelationsvektordarstellung":[29],"in":[30],"Bibliothek":[32],"von":[33],"mehreren":[34],"hunderttausend":[35],"Verbindungen":[36],"erfolgreich":[37],"neue":[38],"wirksame":[39],"Ca2+-Antagonisten":[40],"wie":[41,49],"2":[42],"zu":[43],"identifizieren,":[44],"eine":[46],"\u00e4hnliche":[47],"Aktivit\u00e4t":[48],"1":[50],"(ein":[51],"bekannter":[52],"T-Kanal-Blocker)":[53],"haben.":[54]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":4}],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2016-06-24T00:00:00"}