{"id":"https://openalex.org/W4313477174","doi":"https://doi.org/10.1186/s13321-022-00674-9","title":"MORTAR: a rich client application for in silico molecule fragmentation","display_name":"MORTAR: a rich client application for in silico molecule fragmentation","publication_year":2023,"publication_date":"2023-01-02","ids":{"openalex":"https://openalex.org/W4313477174","doi":"https://doi.org/10.1186/s13321-022-00674-9","pmid":"https://pubmed.ncbi.nlm.nih.gov/36593523"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-022-00674-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-022-00674-9","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-022-00674-9","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-022-00674-9","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5051423642","display_name":"Felix B\u00e4nsch","orcid":"https://orcid.org/0000-0001-8973-8463"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Felix B\u00e4nsch","raw_affiliation_strings":["Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany"],"raw_orcid":"https://orcid.org/0000-0001-8973-8463","affiliations":[{"raw_affiliation_string":"Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001536528","display_name":"Jonas Schaub","orcid":"https://orcid.org/0000-0003-1554-6666"},"institutions":[{"id":"https://openalex.org/I76198965","display_name":"Friedrich Schiller University Jena","ror":"https://ror.org/05qpz1x62","country_code":"DE","type":"education","lineage":["https://openalex.org/I76198965"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Jonas Schaub","raw_affiliation_strings":["Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena, Lessingstra\u00dfe 8, 07743, Jena, Germany"],"raw_orcid":"https://orcid.org/0000-0003-1554-6666","affiliations":[{"raw_affiliation_string":"Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena, Lessingstra\u00dfe 8, 07743, Jena, Germany","institution_ids":["https://openalex.org/I76198965"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082073909","display_name":"Bet\u00fcl Sevindik","orcid":"https://orcid.org/0000-0002-9448-8603"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bet\u00fcl Sevindik","raw_affiliation_strings":["Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany"],"raw_orcid":"https://orcid.org/0000-0002-9448-8603","affiliations":[{"raw_affiliation_string":"Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029734790","display_name":"Samuel Behr","orcid":"https://orcid.org/0000-0002-5278-229X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Samuel Behr","raw_affiliation_strings":["Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany"],"raw_orcid":"https://orcid.org/0000-0002-5278-229X","affiliations":[{"raw_affiliation_string":"Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058141037","display_name":"Julian Zander","orcid":"https://orcid.org/0000-0001-8197-076X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Julian Zander","raw_affiliation_strings":["Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany"],"raw_orcid":"https://orcid.org/0000-0001-8197-076X","affiliations":[{"raw_affiliation_string":"Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040194803","display_name":"Christoph Steinbeck","orcid":"https://orcid.org/0000-0001-6966-0814"},"institutions":[{"id":"https://openalex.org/I76198965","display_name":"Friedrich Schiller University Jena","ror":"https://ror.org/05qpz1x62","country_code":"DE","type":"education","lineage":["https://openalex.org/I76198965"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Christoph Steinbeck","raw_affiliation_strings":["Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena, Lessingstra\u00dfe 8, 07743, Jena, Germany"],"raw_orcid":"https://orcid.org/0000-0001-6966-0814","affiliations":[{"raw_affiliation_string":"Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena, Lessingstra\u00dfe 8, 07743, Jena, Germany","institution_ids":["https://openalex.org/I76198965"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089744377","display_name":"Achim Zielesny","orcid":"https://orcid.org/0000-0003-0722-4229"},"institutions":[{"id":"https://openalex.org/I4210148697","display_name":"Institute of Bioinformatics","ror":"https://ror.org/04hqfvm50","country_code":"IN","type":"nonprofit","lineage":["https://openalex.org/I4210148697"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Achim Zielesny","raw_affiliation_strings":["Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany. achim.zielesny@w-hs.de","Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany"],"raw_orcid":"https://orcid.org/0000-0003-0722-4229","affiliations":[{"raw_affiliation_string":"Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany. achim.zielesny@w-hs.de","institution_ids":["https://openalex.org/I4210148697"]},{"raw_affiliation_string":"Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.7627,"has_fulltext":true,"cited_by_count":9,"citation_normalized_percentile":{"value":0.63653537,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"15","issue":"1","first_page":"1","last_page":"1"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9936000108718872,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9936000108718872,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9803000092506409,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T11825","display_name":"Catalysis and Oxidation Reactions","score":0.9764999747276306,"subfield":{"id":"https://openalex.org/subfields/1503","display_name":"Catalysis"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fragmentation","display_name":"Fragmentation (computing)","score":0.7241091728210449},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6649768352508545},{"id":"https://openalex.org/keywords/mortar","display_name":"Mortar","score":0.6621025204658508},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.572171688079834},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.34891289472579956},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3120229244232178},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.1328853964805603},{"id":"https://openalex.org/keywords/composite-material","display_name":"Composite material","score":0.12366408109664917},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.08560281991958618}],"concepts":[{"id":"https://openalex.org/C191015642","wikidata":"https://www.wikidata.org/wiki/Q1132459","display_name":"Fragmentation (computing)","level":2,"score":0.7241091728210449},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6649768352508545},{"id":"https://openalex.org/C130767629","wikidata":"https://www.wikidata.org/wiki/Q7905205","display_name":"Mortar","level":2,"score":0.6621025204658508},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.572171688079834},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.34891289472579956},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3120229244232178},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.1328853964805603},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.12366408109664917},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.08560281991958618},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-022-00674-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-022-00674-9","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-022-00674-9","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:36593523","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36593523","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 cheminformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:9809053","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9809053","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC9809053/pdf/13321_2022_Article_674.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:4acfd4152c5a425080b1cc7e9310b642","is_oa":true,"landing_page_url":"https://doaj.org/article/4acfd4152c5a425080b1cc7e9310b642","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-14 (2023)","raw_type":"article"},{"id":"pmh:oai:www.db-thueringen.de:dbt_mods_00063726","is_oa":true,"landing_page_url":"https://nbn-resolving.org/urn:nbn:de:gbv:27-dbt-63726-2","pdf_url":null,"source":{"id":"https://openalex.org/S4306400120","display_name":"Common Library Network (Der Gemeinsame Bibliotheksverbund)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210149878","host_organization_name":"Verbundzentrale des GBV","host_organization_lineage":["https://openalex.org/I4210149878"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-022-00674-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-022-00674-9","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-022-00674-9","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320309895","display_name":"Carl-Zeiss-Stiftung","ror":"https://ror.org/03ng4kg22"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4313477174.pdf"},"referenced_works_count":41,"referenced_works":["https://openalex.org/W134574290","https://openalex.org/W1601495365","https://openalex.org/W1757990252","https://openalex.org/W1975147762","https://openalex.org/W1978229532","https://openalex.org/W1983478747","https://openalex.org/W1988037271","https://openalex.org/W1999440281","https://openalex.org/W2010234631","https://openalex.org/W2011451331","https://openalex.org/W2032655419","https://openalex.org/W2041620837","https://openalex.org/W2044834685","https://openalex.org/W2050451453","https://openalex.org/W2060531713","https://openalex.org/W2064963922","https://openalex.org/W2074025270","https://openalex.org/W2075118281","https://openalex.org/W2098889731","https://openalex.org/W2143586989","https://openalex.org/W2148797284","https://openalex.org/W2161104773","https://openalex.org/W2179066627","https://openalex.org/W2200017991","https://openalex.org/W2213735563","https://openalex.org/W2219397146","https://openalex.org/W2622206241","https://openalex.org/W2622236128","https://openalex.org/W2806830112","https://openalex.org/W2900090807","https://openalex.org/W2933530798","https://openalex.org/W2948931158","https://openalex.org/W2968837741","https://openalex.org/W3032569777","https://openalex.org/W3042595256","https://openalex.org/W3097195042","https://openalex.org/W3118695441","https://openalex.org/W3135038945","https://openalex.org/W4200522304","https://openalex.org/W4220658261","https://openalex.org/W4308767605"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2899084033","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487"],"abstract_inverted_index":{"Developing":[0],"and":[1,40,55,68,98,122,132,169],"implementing":[2,27],"computational":[3,47],"algorithms":[4,97,128,161],"for":[5,64],"the":[6,38,42,89,150,186],"extraction":[7],"of":[8,26,91,114,117,149],"specific":[9,139],"substructures":[10],"from":[11],"molecular":[12],"graphs":[13],"(in":[14],"silico":[15,94],"molecule":[16,95],"fragmentation)":[17],"is":[18,61],"an":[19,77],"iterative":[20],"process.":[21],"It":[22],"involves":[23],"repeated":[24],"sequences":[25],"a":[28,46,65,115,138],"rule":[29],"set,":[30],"applying":[31],"it":[32],"to":[33,87],"relevant":[34],"structural":[35],"data,":[36],"checking":[37],"results,":[39],"adjusting":[41],"rules.":[43],"This":[44,74],"requires":[45],"workflow":[48,60],"with":[49,146],"data":[50],"import,":[51],"fragmentation":[52,96,112,144,152,160],"algorithm":[53,67],"integration,":[54],"result":[56],"visualisation.":[57],"The":[58,105],"described":[59],"normally":[62],"unavailable":[63],"new":[66,92],"must":[69],"be":[70,130,155],"set":[71,116],"up":[72],"individually.":[73],"work":[75],"presents":[76],"open":[78],"Java":[79],"rich":[80],"client":[81],"Graphical":[82],"User":[83],"Interface":[84],"(GUI)":[85],"application":[86,110],"support":[88],"development":[90],"in":[93,119,180],"make":[99],"them":[100],"readily":[101],"available":[102,151],"upon":[103],"release.":[104],"MORTAR":[106,135],"(MOlecule":[107],"fRagmenTAtion":[108],"fRamework)":[109],"visualises":[111],"results":[113],"molecules":[118],"various":[120],"ways":[121],"provides":[123],"basic":[124],"analysis":[125],"features.":[126],"Fragmentation":[127],"can":[129,154],"integrated":[131],"developed":[133],"within":[134],"by":[136],"using":[137],"wrapper":[140],"class.":[141],"In":[142],"addition,":[143],"pipelines":[145],"any":[147],"combination":[148],"methods":[153],"executed.":[156],"Upon":[157],"release,":[158],"three":[159],"are":[162,182],"already":[163],"integrated:":[164],"ErtlFunctionalGroupsFinder,":[165],"Sugar":[166],"Removal":[167],"Utility,":[168],"Scaffold":[170],"Generator.":[171],"These":[172],"algorithms,":[173],"as":[174,176],"well":[175],"all":[177],"cheminformatics":[178],"functionalities":[179],"MORTAR,":[181],"implemented":[183],"based":[184],"on":[185],"Chemistry":[187],"Development":[188],"Kit":[189],"(CDK).":[190]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":4}],"updated_date":"2026-07-02T09:51:11.867554","created_date":"2025-10-10T00:00:00"}