{"id":"https://openalex.org/W2121612327","doi":"https://doi.org/10.1186/1758-2946-3-3","title":"jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints","display_name":"jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints","publication_year":2011,"publication_date":"2011-01-10","ids":{"openalex":"https://openalex.org/W2121612327","doi":"https://doi.org/10.1186/1758-2946-3-3","mag":"2121612327","pmid":"https://pubmed.ncbi.nlm.nih.gov/21219648"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-3-3","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-3","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-3","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/10.1186/1758-2946-3-3","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035710038","display_name":"Georg Hinselmann","orcid":null},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Georg Hinselmann","raw_affiliation_strings":["University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076 T\u00fcbingen, Germany. georg.hinselmann@uni-tuebingen.de","University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany"],"affiliations":[{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076 T\u00fcbingen, Germany. georg.hinselmann@uni-tuebingen.de","institution_ids":[]},{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071201024","display_name":"Lars Rosenbaum","orcid":null},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Lars Rosenbaum","raw_affiliation_strings":["University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany"],"affiliations":[{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]},{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066354297","display_name":"Andreas Jahn","orcid":"https://orcid.org/0000-0003-0207-0224"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Andreas Jahn","raw_affiliation_strings":["University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany"],"affiliations":[{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]},{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002248255","display_name":"Nikolas Fechner","orcid":"https://orcid.org/0000-0003-3852-3950"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Nikolas Fechner","raw_affiliation_strings":["University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany"],"affiliations":[{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]},{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5004958444","display_name":"Andreas Zell","orcid":"https://orcid.org/0000-0003-3299-2211"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Andreas Zell","raw_affiliation_strings":["University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany"],"affiliations":[{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), Sand 1, 72076, T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]},{"raw_affiliation_string":"University of T\u00fcbingen, Center for Bioinformatics T\u00fcbingen (ZBIT), T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5035710038"],"corresponding_institution_ids":["https://openalex.org/I8087733"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":4.8832,"has_fulltext":true,"cited_by_count":98,"citation_normalized_percentile":{"value":0.95627026,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"3","issue":"1","first_page":"3","last_page":"3"},"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.9611999988555908,"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"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9488000273704529,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8013601303100586},{"id":"https://openalex.org/keywords/executable","display_name":"Executable","score":0.6021918058395386},{"id":"https://openalex.org/keywords/java","display_name":"Java","score":0.5979598760604858},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.5898229479789734},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.5730746388435364},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5271834135055542},{"id":"https://openalex.org/keywords/fingerprint","display_name":"Fingerprint (computing)","score":0.5199217200279236},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.34584927558898926},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2900705635547638},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.1785898506641388},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.17723548412322998}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8013601303100586},{"id":"https://openalex.org/C160145156","wikidata":"https://www.wikidata.org/wiki/Q778586","display_name":"Executable","level":2,"score":0.6021918058395386},{"id":"https://openalex.org/C548217200","wikidata":"https://www.wikidata.org/wiki/Q251","display_name":"Java","level":2,"score":0.5979598760604858},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.5898229479789734},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.5730746388435364},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5271834135055542},{"id":"https://openalex.org/C2777826928","wikidata":"https://www.wikidata.org/wiki/Q3745713","display_name":"Fingerprint (computing)","level":2,"score":0.5199217200279236},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.34584927558898926},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2900705635547638},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.1785898506641388},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.17723548412322998},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/1758-2946-3-3","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-3","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-3","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:21219648","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21219648","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:doaj.org/article:a1c6113c55e0459db66fdce578063183","is_oa":true,"landing_page_url":"https://doaj.org/article/a1c6113c55e0459db66fdce578063183","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics, Vol 3, Iss 1, p 3 (2011)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3033338","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3033338","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-3-3","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-3","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-3","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":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5099999904632568}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2121612327.pdf","grobid_xml":"https://content.openalex.org/works/W2121612327.grobid-xml"},"referenced_works_count":33,"referenced_works":["https://openalex.org/W26527403","https://openalex.org/W1483403220","https://openalex.org/W1631913055","https://openalex.org/W1988037271","https://openalex.org/W2014123957","https://openalex.org/W2021748110","https://openalex.org/W2025135899","https://openalex.org/W2031372687","https://openalex.org/W2032245355","https://openalex.org/W2034199503","https://openalex.org/W2038863320","https://openalex.org/W2064569861","https://openalex.org/W2066532920","https://openalex.org/W2075234145","https://openalex.org/W2078610439","https://openalex.org/W2081301924","https://openalex.org/W2089589794","https://openalex.org/W2096729078","https://openalex.org/W2098889731","https://openalex.org/W2099438806","https://openalex.org/W2109885520","https://openalex.org/W2118585731","https://openalex.org/W2118865162","https://openalex.org/W2133990480","https://openalex.org/W2135835957","https://openalex.org/W2137262074","https://openalex.org/W2148797284","https://openalex.org/W2153037537","https://openalex.org/W2153635508","https://openalex.org/W2166017353","https://openalex.org/W2166845081","https://openalex.org/W2177544602","https://openalex.org/W3120421331"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W4386509167","https://openalex.org/W2889938001","https://openalex.org/W1570419641","https://openalex.org/W4293771607","https://openalex.org/W3165034028","https://openalex.org/W2296499206","https://openalex.org/W3210319767","https://openalex.org/W132037564","https://openalex.org/W2114326383"],"abstract_inverted_index":{"jCompoundMapper":[0],"is":[1],"a":[2],"library":[3],"for":[4,15,44],"chemical":[5],"graph":[6],"fingerprints":[7],"with":[8],"several":[9],"tweaking":[10],"possibilities":[11],"and":[12,38,61],"exporting":[13],"options":[14],"open":[16],"source":[17],"data":[18,25,56,63],"mining":[19,26,57],"toolkits.":[20],"The":[21],"quality":[22],"of":[23,55],"the":[24,28,31,35,39],"results,":[27],"conversion":[29],"speed,":[30],"LPGL":[32],"software":[33],"license,":[34],"command-line":[36],"interface,":[37],"exporters":[40],"should":[41],"be":[42],"useful":[43],"many":[45],"applications":[46],"in":[47],"cheminformatics":[48],"like":[49],"benchmarks":[50],"against":[51],"literature":[52],"methods,":[53],"comparison":[54],"algorithms,":[58],"similarity":[59],"searching,":[60],"similarity-based":[62],"mining.":[64]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":13},{"year":2023,"cited_by_count":9},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":13},{"year":2017,"cited_by_count":13},{"year":2016,"cited_by_count":7},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":6},{"year":2012,"cited_by_count":3}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}