{"id":"https://openalex.org/W2293883304","doi":"https://doi.org/10.1021/acs.jcim.5b00292","title":"MONA 2: A Light Cheminformatics Platform for Interactive Compound Library Processing","display_name":"MONA 2: A Light Cheminformatics Platform for Interactive Compound Library Processing","publication_year":2015,"publication_date":"2015-09-21","ids":{"openalex":"https://openalex.org/W2293883304","doi":"https://doi.org/10.1021/acs.jcim.5b00292","mag":"2293883304","pmid":"https://pubmed.ncbi.nlm.nih.gov/26389652"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00292","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00292","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"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 Modeling","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/A5031540817","display_name":"Matthias Hilbig","orcid":null},"institutions":[{"id":"https://openalex.org/I159176309","display_name":"Universit\u00e4t Hamburg","ror":"https://ror.org/00g30e956","country_code":"DE","type":"education","lineage":["https://openalex.org/I159176309"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Matthias Hilbig","raw_affiliation_strings":["University of Hamburg, Center for Bioinformatics, Research\rGroup for Computational Molecular Design, Bundesstra\u00dfe 43, 20146 Hamburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Hamburg, Center for Bioinformatics, Research\rGroup for Computational Molecular Design, Bundesstra\u00dfe 43, 20146 Hamburg, Germany","institution_ids":["https://openalex.org/I159176309"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083205378","display_name":"Matthias Rarey","orcid":"https://orcid.org/0000-0002-9553-6531"},"institutions":[{"id":"https://openalex.org/I159176309","display_name":"Universit\u00e4t Hamburg","ror":"https://ror.org/00g30e956","country_code":"DE","type":"education","lineage":["https://openalex.org/I159176309"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Matthias Rarey","raw_affiliation_strings":["University of Hamburg, Center for Bioinformatics, Research\rGroup for Computational Molecular Design, Bundesstra\u00dfe 43, 20146 Hamburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Hamburg, Center for Bioinformatics, Research\rGroup for Computational Molecular Design, Bundesstra\u00dfe 43, 20146 Hamburg, Germany","institution_ids":["https://openalex.org/I159176309"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":4.3611,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.94932496,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"55","issue":"10","first_page":"2071","last_page":"2078"},"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9871000051498413,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9866999983787537,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.9904175400733948},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.846337080001831},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7754603624343872},{"id":"https://openalex.org/keywords/scripting-language","display_name":"Scripting language","score":0.7350124716758728},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.6675852537155151},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.6174261569976807},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.4827391505241394},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.4778054356575012},{"id":"https://openalex.org/keywords/toolbox","display_name":"Toolbox","score":0.46191075444221497},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.36324095726013184},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.34430307149887085},{"id":"https://openalex.org/keywords/human\u2013computer-interaction","display_name":"Human\u2013computer interaction","score":0.33282649517059326},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.18188464641571045},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.12326067686080933},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.11642187833786011}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.9904175400733948},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.846337080001831},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7754603624343872},{"id":"https://openalex.org/C61423126","wikidata":"https://www.wikidata.org/wiki/Q187432","display_name":"Scripting language","level":2,"score":0.7350124716758728},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.6675852537155151},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.6174261569976807},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.4827391505241394},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.4778054356575012},{"id":"https://openalex.org/C2777655017","wikidata":"https://www.wikidata.org/wiki/Q1501161","display_name":"Toolbox","level":2,"score":0.46191075444221497},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.36324095726013184},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.34430307149887085},{"id":"https://openalex.org/C107457646","wikidata":"https://www.wikidata.org/wiki/Q207434","display_name":"Human\u2013computer interaction","level":1,"score":0.33282649517059326},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18188464641571045},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.12326067686080933},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.11642187833786011},{"id":"https://openalex.org/C157915830","wikidata":"https://www.wikidata.org/wiki/Q2928001","display_name":"Bubble","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/C129307140","wikidata":"https://www.wikidata.org/wiki/Q6795880","display_name":"Maximum bubble pressure method","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019992","descriptor_name":"Databases as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019992","descriptor_name":"Databases as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019992","descriptor_name":"Databases as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.5b00292","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00292","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"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 Modeling","raw_type":"journal-article"},{"id":"pmid:26389652","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26389652","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 modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W83369841","https://openalex.org/W1540089290","https://openalex.org/W1835740130","https://openalex.org/W1968319881","https://openalex.org/W1971849220","https://openalex.org/W1972863608","https://openalex.org/W1974037865","https://openalex.org/W1975875968","https://openalex.org/W1988037271","https://openalex.org/W1996295408","https://openalex.org/W2000061529","https://openalex.org/W2010099233","https://openalex.org/W2018518196","https://openalex.org/W2022819018","https://openalex.org/W2034215564","https://openalex.org/W2043509228","https://openalex.org/W2088390434","https://openalex.org/W2091223968","https://openalex.org/W2096729078","https://openalex.org/W2130479394","https://openalex.org/W2135732933","https://openalex.org/W2142553313","https://openalex.org/W2164102329","https://openalex.org/W2176516200","https://openalex.org/W2265264785","https://openalex.org/W2519703809","https://openalex.org/W4210483668"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W2889938001","https://openalex.org/W4386509167","https://openalex.org/W3165034028","https://openalex.org/W1570419641","https://openalex.org/W4293771607","https://openalex.org/W2296499206","https://openalex.org/W4205140848","https://openalex.org/W2068663075","https://openalex.org/W3084276481"],"abstract_inverted_index":{"Because":[0],"of":[1,4,35,63,81,101,135,143,158],"the":[2,9,27,32,59,99,133,156],"availability":[3],"large":[5],"compound":[6,150],"collections":[7],"on":[8,90,107,116],"Web,":[10],"elementary":[11],"cheminformatics":[12,65],"tasks":[13,115],"such":[14],"as":[15],"chemical":[16,117],"library":[17,151],"browsing,":[18],"analyzing,":[19],"filtering,":[20],"or":[21],"unifying":[22],"have":[23],"become":[24],"widespread":[25],"in":[26],"life":[28],"science":[29],"community.":[30],"Furthermore,":[31],"high":[33],"performance":[34],"desktop":[36,66],"hardware":[37],"allows":[38],"an":[39,102],"interactive,":[40],"problem-driven":[41],"approach":[42],"to":[43,121,155],"these":[44],"tasks,":[45],"avoiding":[46],"rigid":[47],"processing":[48],"scripts":[49],"and":[50,140,153],"workflows.":[51],"Here,":[52],"we":[53],"present":[54],"MONA":[55,72],"2,":[56],"which":[57],"is":[58],"second":[60],"major":[61],"release":[62],"our":[64],"application":[67,144],"addressing":[68],"this":[69],"need.":[70],"Using":[71],"requires":[73],"neither":[74],"complex":[75],"database":[76],"setups":[77],"nor":[78],"expert":[79],"knowledge":[80],"cheminformatics.":[82],"A":[83],"new":[84],"molecular":[85],"set":[86],"concept":[87],"purely":[88],"based":[89],"structural":[91],"entities":[92],"rather":[93],"than":[94],"individual":[95],"compounds":[96,124],"has":[97],"allowed":[98],"development":[100],"intuitive":[103],"user":[104],"interface.":[105],"Based":[106],"a":[108,141],"chemically":[109],"precise,":[110],"high-performance":[111],"software":[112],"library,":[113],"typical":[114],"libraries":[118],"with":[119],"up":[120],"one":[122],"million":[123],"can":[125],"be":[126],"performed":[127],"mostly":[128],"interactively.":[129],"This":[130],"paper":[131],"describes":[132],"functionality":[134],"MONA,":[136],"its":[137],"fundamental":[138],"concepts,":[139],"collection":[142],"scenarios":[145],"ranging":[146],"from":[147],"file":[148],"conversion,":[149],"curation,":[152],"management":[154],"post-processing":[157],"large-scale":[159],"experiments.":[160]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":4},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":5}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}