{"id":"https://openalex.org/W6902465612","doi":"https://doi.org/10.6094/unifr/16673","title":"Development and application of ligand-based cheminformatics tools for drug discovery from natural products","display_name":"Development and application of ligand-based cheminformatics tools for drug discovery from natural products","publication_year":2018,"publication_date":"2018-01-01","ids":{"openalex":"https://openalex.org/W6902465612","doi":"https://doi.org/10.6094/unifr/16673"},"language":"de","primary_location":{"id":"doi:10.6094/unifr/16673","is_oa":true,"landing_page_url":"https://doi.org/10.6094/unifr/16673","pdf_url":null,"source":{"id":"https://openalex.org/S4306401057","display_name":"FreiDok plus (Universit\u00e4tsbibliothek Freiburg)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I161046081","host_organization_name":"University of Freiburg","host_organization_lineage":["https://openalex.org/I161046081"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"type":"other","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.6094/unifr/16673","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Telukunta, Kiran Kumar","orcid":"https://orcid.org/0000-0002-3219-9240"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Telukunta, Kiran Kumar","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":1,"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":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":true,"primary_topic":null,"topics":[],"keywords":[{"id":"https://openalex.org/keywords/european-market","display_name":"European market","score":0.21310000121593475},{"id":"https://openalex.org/keywords/pharmaceutical-technology","display_name":"Pharmaceutical technology","score":0.210999995470047},{"id":"https://openalex.org/keywords/sun-protection-factor","display_name":"Sun protection factor","score":0.18690000474452972},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.15809999406337738}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6238999962806702},{"id":"https://openalex.org/C15708023","wikidata":"https://www.wikidata.org/wiki/Q80083","display_name":"Humanities","level":1,"score":0.32600000500679016},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.21480000019073486},{"id":"https://openalex.org/C2985089533","wikidata":"https://www.wikidata.org/wiki/Q8932","display_name":"European market","level":2,"score":0.21310000121593475},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.21170000731945038},{"id":"https://openalex.org/C2984430287","wikidata":"https://www.wikidata.org/wiki/Q186249","display_name":"Pharmaceutical technology","level":2,"score":0.210999995470047},{"id":"https://openalex.org/C153911025","wikidata":"https://www.wikidata.org/wiki/Q7202","display_name":"Molecular biology","level":1,"score":0.1890999972820282},{"id":"https://openalex.org/C2992670425","wikidata":"https://www.wikidata.org/wiki/Q827658","display_name":"Sun protection factor","level":2,"score":0.18690000474452972},{"id":"https://openalex.org/C97137747","wikidata":"https://www.wikidata.org/wiki/Q38112","display_name":"Forestry","level":1,"score":0.1655000001192093},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.15809999406337738}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.6094/unifr/16673","is_oa":true,"landing_page_url":"https://doi.org/10.6094/unifr/16673","pdf_url":null,"source":{"id":"https://openalex.org/S4306401057","display_name":"FreiDok plus (Universit\u00e4tsbibliothek Freiburg)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I161046081","host_organization_name":"University of Freiburg","host_organization_lineage":["https://openalex.org/I161046081"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"doi:10.6094/unifr/16673","is_oa":true,"landing_page_url":"https://doi.org/10.6094/unifr/16673","pdf_url":null,"source":{"id":"https://openalex.org/S4306401057","display_name":"FreiDok plus (Universit\u00e4tsbibliothek Freiburg)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I161046081","host_organization_name":"University of Freiburg","host_organization_lineage":["https://openalex.org/I161046081"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Die":[0,82,116,138,262,270,326],"Identifizierung":[1,132,168,383],"kleiner":[2],"Molek\u00fcle":[3,30,400],"aus":[4,200,233,282],"dem":[5,234],"nahezu":[6],"unendlichen":[7],"chemischen":[8,223,304],"Raum,":[9],"die":[10,40,58,63,74,92,111,129,154,180,195,220,240,248,287,309,329,339,347,364,382,398],"selektiv":[11],"an":[12],"ein":[13,26,190],"biologisches":[14],"Zielprotein":[15],"binden,":[16],"ist":[17,189,267],"neben":[18],"vielen":[19],"anderen":[20],"kritischen":[21],"Schritten":[22],"in":[23,64,65,186,241,306,350,352],"der":[24,85,122,156,167,211,289,315,353,359,376,378,388],"Arzneimittelentwicklung":[25],"zeitaufw\u00e4ndiger":[27],"Prozess.":[28],"Identifizierte":[29],"m\u00fcssen":[31],"\u00fcber":[32,255],"ausreichende":[33],"Verweilzeiten":[34],"am":[35],"Wirkstoff-Zielkomplex":[36],"verf\u00fcgen,":[37],"um":[38,98,225],"auf":[39,308,320],"Funktion":[41],"des":[42,76,303],"Zielproteins":[43],"einzuwirken":[44],"und":[45,55,174,177,198,205,215,237,260,286,296,345,367,375],"den":[46,221],"gew\u00fcnschten":[47],"Ph\u00e4notyp":[48],"zu":[49,103,163,184],"beeinflussen.":[50],"Dar\u00fcber":[51,245],"hinaus":[52,246],"charakterisieren":[53],"pharmakokinetische":[54],"pharmakodynamische":[56],"Eigenschaften":[57,259],"pharmakologische":[59],"Aktivit\u00e4t":[60,316],"von":[61,133,169,182,253,341,349],"Molek\u00fclen,":[62],"vivo":[66],"Studien":[67],"weiter":[68],"untersucht":[69],"werden":[70,136,160,203,293,363,396],"muss.":[71],"Schlie\u00dflich":[72],"muss":[73],"Wirksamkeit":[75],"Medikaments":[77],"im":[78,142,330],"Menschen":[79],"validiert":[80],"werden.":[81,244],"gro\u00dfe":[83],"Zahl":[84],"zugelassenen":[86],"Naturstoffe":[87,232],"zeigt":[88],"deren":[89,127,150,279,368],"Bedeutung":[90,348],"f\u00fcr":[91,338,397],"Arzneimittelforschung.":[93],"Genome-mining":[94],"kann":[95],"eingesetzt":[96],"werden,":[97],"eine":[99,207,274],"Vielzahl":[100],"neuartiger":[101],"Naturprodukte":[102,291],"identifizieren.":[104],"Liganden-":[105],"oder":[106],"strukturbasierte":[107],"virtuelle":[108],"screening-Methoden":[109],"unterst\u00fctzen":[110],"Entdeckung":[112],"neuer":[113],"therapeutischer":[114],"Wirkstoffe.":[115],"vorliegende":[117],"Dissertation":[118,333],"besch\u00e4ftigt":[119],"sich":[120],"mit":[121,126,149,192,278,372,402],"Entwicklung":[123],"cheminformatischer":[124],"Werkzeuge,":[125,328],"Hilfe":[128,151,194,280],"Grundlagenforschung":[130],"zur":[131,276,300,313,343,389],"Leitstrukturen":[134],"unterst\u00fctzt":[135],"kann.":[137,294],"folgenden":[139],"Anwendungen":[140],"wurden":[141],"Rahmen":[143,331],"dieser":[144,332],"Arbeit":[145],"mitentwickelt:":[146],"Text-Mining":[147],"Werkzeuge":[148,366],"Literatur":[152],"durch":[153],"Verarbeitung":[155],"nat\u00fcrlichen":[157],"Sprache":[158],"evaluiert":[159],"kann,":[161],"sind":[162,217,298,336],"einem":[164],"wichtigen":[165],"Bestandteil":[166],"Interaktionen":[170],"zwischen":[171],"Metaboliten,":[172],"Arzneistoffen":[173],"Proteinen":[175,403],"geworden":[176],"erm\u00f6glichen":[178,247],"auch":[179],"Erkennung":[181],"Assoziationen":[183,199],"Krankheiten":[185],"Texten.":[187],"PubMedPortable":[188],"framework":[191],"dessen":[193],"genannten":[196,365],"Biomolek\u00fcle":[197],"Texten":[201],"extrahiert":[202],"k\u00f6nnen":[204],"daf\u00fcr":[206],"lokal":[208],"verf\u00fcgbare":[209],"Instanz":[210],"PubMedDatenbank":[212],"bereitstellt.":[213],"NANPDB":[214,229],"StreptomeDB":[216,238],"biologische":[218],"Datenbanken,":[219],"verf\u00fcgbaren":[222,379],"Raum":[224,236],"relevante":[226],"Wirkstoffe":[227,386],"erweitern:":[228],"beschreibt":[230],"bekannte":[231],"nordafrikanischen":[235],"Molek\u00fcle,":[239],"Aktinobakterien":[242],"produziert":[243],"bereitgestellten":[249],"webservices":[250],"das":[251],"Abrufen":[252],"Informationen":[254],"therapeutische":[256],"Anwendungen,":[257],"physikalisch-chemische":[258],"Syntheserouten.":[261],"strukturelle":[263],"Aufkl\u00e4rung":[264],"biosynthetischer":[265],"Substanzen":[266],"sehr":[268],"aufwendig.":[269],"Anwendung":[271],"SeMPI":[272],"stellt":[273],"pipeline":[275],"Verf\u00fcgung,":[277],"Gen-Cluster":[281],"genomischen":[283],"Daten":[284],"identifiziert":[285],"Grundstruktur":[288],"synthetisierten":[290],"vorhergesagt":[292],"DVS":[295],"FragPred":[297],"Algorithmen":[299],"effizienten":[301],"Filterung":[302],"Raums":[305],"Bezug":[307],"adressierten":[310],"Zielproteine":[311],"bzw.":[312],"Vorhersage":[314],"eines":[317],"Molek\u00fcls":[318],"basierend":[319],"bekannten":[321],"darin":[322],"enthaltenen":[323],"aktiven":[324],"Substrukturen.":[325],"cheminformatischen":[327],"entwickelt":[334],"wurden,":[335],"n\u00fctzlich":[337],"Gewinnung":[340],"Hypothesen":[342],"Medikamentenentwicklung":[344],"veranschaulichen":[346],"silico-Methoden":[351],"modernen":[354],"Wirkstoffforschung.":[355],"Anhand":[356],"einer":[357,373],"Fallstudie,":[358],"Krankheit":[360],"Diabetes":[361],"mellitus,":[362],"Bedienung":[369],"illustriert.":[370],"Beginnend":[371],"Literatursuche":[374],"Bestimmung":[377],"Medikamente,":[380],"folgt":[381],"weiterer":[384],"m\u00f6glicher":[385],"mithilfe":[387],"Verf\u00fcgung":[390],"gestellten":[391],"biologischen":[392],"Datenbanken.":[393],"Daran":[394],"anschlie\u00dfend":[395],"betreffenden":[399],"Wechselwirkungen":[401],"vorhergesagt.":[404]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}