{"id":"https://openalex.org/W1639186820","doi":"https://doi.org/10.1186/1758-2946-5-s1-f1","title":"Get your chemistry right with KNIME","display_name":"Get your chemistry right with KNIME","publication_year":2013,"publication_date":"2013-03-01","ids":{"openalex":"https://openalex.org/W1639186820","doi":"https://doi.org/10.1186/1758-2946-5-s1-f1","mag":"1639186820"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-s1-f1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-f1","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-F1","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"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-F1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5110252252","display_name":"Thorsten Meinl","orcid":null},"institutions":[{"id":"https://openalex.org/I189712700","display_name":"University of Konstanz","ror":"https://ror.org/0546hnb39","country_code":"DE","type":"education","lineage":["https://openalex.org/I189712700"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Thorsten Meinl","raw_affiliation_strings":["University of Konstanz, Box 712, D-78457, Konstanz, Germany","University of Konstanz, Konstanz , Germany"],"affiliations":[{"raw_affiliation_string":"University of Konstanz, Box 712, D-78457, Konstanz, Germany","institution_ids":["https://openalex.org/I189712700"]},{"raw_affiliation_string":"University of Konstanz, Konstanz , Germany","institution_ids":["https://openalex.org/I189712700"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056808182","display_name":"Gregory A. Landrum","orcid":"https://orcid.org/0000-0001-6279-4481"},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Gregory Landrum","raw_affiliation_strings":["Novartis Pharma AG, Postfach, CH-4002, Basel, Switzerland","Novartis Pharma AG, Basel, SWITZERLAND"],"affiliations":[{"raw_affiliation_string":"Novartis Pharma AG, Postfach, CH-4002, Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]},{"raw_affiliation_string":"Novartis Pharma AG, Basel, SWITZERLAND","institution_ids":["https://openalex.org/I1283582996"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5110252252"],"corresponding_institution_ids":["https://openalex.org/I189712700"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":2.49,"has_fulltext":true,"cited_by_count":9,"citation_normalized_percentile":{"value":0.91343908,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"5","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9811999797821045,"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"}},"topics":[{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9811999797821045,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9488999843597412,"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"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9103000164031982,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7741184234619141},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.6496840715408325},{"id":"https://openalex.org/keywords/presentation","display_name":"Presentation (obstetrics)","score":0.5443311929702759},{"id":"https://openalex.org/keywords/focus","display_name":"Focus (optics)","score":0.41131892800331116},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.4007079005241394},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.3205817937850952},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.17612197995185852},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.11681416630744934}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7741184234619141},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.6496840715408325},{"id":"https://openalex.org/C2777601897","wikidata":"https://www.wikidata.org/wiki/Q3409113","display_name":"Presentation (obstetrics)","level":2,"score":0.5443311929702759},{"id":"https://openalex.org/C192209626","wikidata":"https://www.wikidata.org/wiki/Q190909","display_name":"Focus (optics)","level":2,"score":0.41131892800331116},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.4007079005241394},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.3205817937850952},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.17612197995185852},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.11681416630744934},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C126838900","wikidata":"https://www.wikidata.org/wiki/Q77604","display_name":"Radiology","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-5-s1-f1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-f1","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-F1","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":"pmh:oai:europepmc.org:2605475","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606199","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"},{"id":"pmh:oai:kops.uni-konstanz.de:123456789/28099","is_oa":true,"landing_page_url":"http://nbn-resolving.de/urn:nbn:de:bsz:352-280994","pdf_url":null,"source":{"id":"https://openalex.org/S4306401487","display_name":"KOPS (University of Konstanz)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I189712700","host_organization_name":"University of Konstanz","host_organization_lineage":["https://openalex.org/I189712700"],"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":"Journal of Cheminformatics. 2013, 5(Suppl. 1), F1. eISSN 1758-2946. Available under: doi: 10.1186/1758-2946-5-S1-F1","raw_type":"doc-type:Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-5-s1-f1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-f1","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-F1","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":[{"score":0.5899999737739563,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1639186820.pdf","grobid_xml":"https://content.openalex.org/works/W1639186820.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W4387426029","https://openalex.org/W4254162896","https://openalex.org/W1981780420","https://openalex.org/W1477999932","https://openalex.org/W4388792380","https://openalex.org/W2182707996","https://openalex.org/W4386731653","https://openalex.org/W45233828","https://openalex.org/W2964988449"],"abstract_inverted_index":{")":[0],"is":[1,27],"a":[2],"userfriendly":[3],"and":[4,11,26,34],"comprehensive":[5],"open-source":[6],"data":[7],"integration,":[8],"processing,":[9],"analysis,":[10],"exploration":[12],"platform.":[13],"From":[14],"day":[15],"one,":[16],"KNIME":[17],"has":[18],"been":[19],"developed":[20],"using":[21],"rigorous":[22],"software":[23],"engineering":[24],"practices":[25],"used":[28],"by":[29],"professionals":[30],"in":[31,36],"both":[32],"industry":[33],"academia":[35],"over":[37],"60":[38],"countries.":[39]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2014,"cited_by_count":1}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}