{"id":"https://openalex.org/W4382777249","doi":"https://doi.org/10.1186/s13321-023-00730-y","title":"Improving reproducibility and reusability in the Journal of Cheminformatics","display_name":"Improving reproducibility and reusability in the Journal of Cheminformatics","publication_year":2023,"publication_date":"2023-06-30","ids":{"openalex":"https://openalex.org/W4382777249","doi":"https://doi.org/10.1186/s13321-023-00730-y","pmid":"https://pubmed.ncbi.nlm.nih.gov/37391855"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-023-00730-y","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-023-00730-y","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-023-00730-y","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/s13321-023-00730-y","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5065488553","display_name":"Charles Tapley Hoyt","orcid":"https://orcid.org/0000-0003-4423-4370"},"institutions":[{"id":"https://openalex.org/I136199984","display_name":"Harvard University","ror":"https://ror.org/03vek6s52","country_code":"US","type":"education","lineage":["https://openalex.org/I136199984"]},{"id":"https://openalex.org/I4210155419","display_name":"Center for Systems Biology","ror":"https://ror.org/05r3dyn47","country_code":"US","type":"facility","lineage":["https://openalex.org/I136199984","https://openalex.org/I4210087915","https://openalex.org/I4210155419","https://openalex.org/I48633490"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Charles Tapley Hoyt","raw_affiliation_strings":["Laboratory of Systems Pharmacology, Harvard Medical School, Boston, USA. cthoyt@gmail.com","Laboratory of Systems Pharmacology, Harvard Medical School, Boston, USA"],"raw_orcid":"https://orcid.org/0000-0003-4423-4370","affiliations":[{"raw_affiliation_string":"Laboratory of Systems Pharmacology, Harvard Medical School, Boston, USA. cthoyt@gmail.com","institution_ids":["https://openalex.org/I4210155419"]},{"raw_affiliation_string":"Laboratory of Systems Pharmacology, Harvard Medical School, Boston, USA","institution_ids":["https://openalex.org/I136199984","https://openalex.org/I4210155419"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053048742","display_name":"Barbara Zdrazil","orcid":"https://orcid.org/0000-0001-9395-1515"},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Barbara Zdrazil","raw_affiliation_strings":["EMBL-EBI, Hinxton, England"],"raw_orcid":"https://orcid.org/0000-0001-9395-1515","affiliations":[{"raw_affiliation_string":"EMBL-EBI, Hinxton, England","institution_ids":["https://openalex.org/I1303153112"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069062997","display_name":"Rajarshi Guha","orcid":"https://orcid.org/0000-0001-7403-8819"},"institutions":[{"id":"https://openalex.org/I61970326","display_name":"Vertex Pharmaceuticals (United States)","ror":"https://ror.org/00anb1726","country_code":"US","type":"company","lineage":["https://openalex.org/I61970326"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rajarshi Guha","raw_affiliation_strings":["Vertex Pharmaceuticals, Boston, USA"],"raw_orcid":"https://orcid.org/0000-0001-7403-8819","affiliations":[{"raw_affiliation_string":"Vertex Pharmaceuticals, Boston, USA","institution_ids":["https://openalex.org/I61970326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056989071","display_name":"Nina Jeliazkova","orcid":"https://orcid.org/0000-0002-4322-6179"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nina Jeliazkova","raw_affiliation_strings":["Ideaconsult Ltd, Wigan, UK"],"raw_orcid":"https://orcid.org/0000-0002-4322-6179","affiliations":[{"raw_affiliation_string":"Ideaconsult Ltd, Wigan, UK","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057869875","display_name":"Karina Mart\u00ednez\u2010Mayorga","orcid":"https://orcid.org/0000-0002-6974-7941"},"institutions":[{"id":"https://openalex.org/I8961855","display_name":"Universidad Nacional Aut\u00f3noma de M\u00e9xico","ror":"https://ror.org/01tmp8f25","country_code":"MX","type":"education","lineage":["https://openalex.org/I8961855"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Karina Martinez-Mayorga","raw_affiliation_strings":["National Autonomous University of Mexico, Mexico City, Mexico"],"raw_orcid":"https://orcid.org/0000-0002-6974-7941","affiliations":[{"raw_affiliation_string":"National Autonomous University of Mexico, Mexico City, Mexico","institution_ids":["https://openalex.org/I8961855"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5077542460","display_name":"Eva Nittinger","orcid":"https://orcid.org/0000-0001-7231-7996"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Eva Nittinger","raw_affiliation_strings":["Medicinal Chemistry, Research and Early Development, Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden"],"raw_orcid":"https://orcid.org/0000-0001-7231-7996","affiliations":[{"raw_affiliation_string":"Medicinal Chemistry, Research and Early Development, Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden","institution_ids":["https://openalex.org/I4210143795"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5065488553"],"corresponding_institution_ids":["https://openalex.org/I136199984","https://openalex.org/I4210155419"],"apc_list":{"value":2190,"currency":"USD","value_usd":2190},"apc_paid":{"value":2190,"currency":"USD","value_usd":2190},"fwci":1.0219,"has_fulltext":true,"cited_by_count":11,"citation_normalized_percentile":{"value":0.74082234,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"15","issue":"1","first_page":"62","last_page":"62"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11710","display_name":"Biomedical Text Mining and Ontologies","score":0.9811999797821045,"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"}},"topics":[{"id":"https://openalex.org/T11710","display_name":"Biomedical Text Mining and Ontologies","score":0.9811999797821045,"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/T10206","display_name":"Meta-analysis and systematic reviews","score":0.9535999894142151,"subfield":{"id":"https://openalex.org/subfields/1804","display_name":"Statistics, Probability and Uncertainty"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.9700837135314941},{"id":"https://openalex.org/keywords/reusability","display_name":"Reusability","score":0.7812623977661133},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6485428810119629},{"id":"https://openalex.org/keywords/reproducibility","display_name":"Reproducibility","score":0.5936194062232971},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.4211386442184448},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.35053014755249023},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.25749167799949646},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.1420639455318451},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.1126197874546051},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.07547208666801453},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.05184498429298401}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.9700837135314941},{"id":"https://openalex.org/C137981799","wikidata":"https://www.wikidata.org/wiki/Q1369184","display_name":"Reusability","level":3,"score":0.7812623977661133},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6485428810119629},{"id":"https://openalex.org/C9893847","wikidata":"https://www.wikidata.org/wiki/Q1425625","display_name":"Reproducibility","level":2,"score":0.5936194062232971},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.4211386442184448},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.35053014755249023},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.25749167799949646},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.1420639455318451},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.1126197874546051},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.07547208666801453},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.05184498429298401}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/s13321-023-00730-y","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-023-00730-y","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-023-00730-y","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:37391855","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37391855","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:10314397","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10314397","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10314397/pdf/13321_2023_Article_730.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:fcfad7aacfdf4aebb8312bcd9b732b50","is_oa":true,"landing_page_url":"https://doaj.org/article/fcfad7aacfdf4aebb8312bcd9b732b50","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 1-3 (2023)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-023-00730-y","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-023-00730-y","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-023-00730-y","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":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4382777249.pdf","grobid_xml":"https://content.openalex.org/works/W4382777249.grobid-xml"},"referenced_works_count":9,"referenced_works":["https://openalex.org/W1483583667","https://openalex.org/W1987777080","https://openalex.org/W2012950673","https://openalex.org/W2076765281","https://openalex.org/W2297737328","https://openalex.org/W2912652107","https://openalex.org/W3012838233","https://openalex.org/W4206664145","https://openalex.org/W4241559800"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W4282938614","https://openalex.org/W1570419641","https://openalex.org/W4386509167","https://openalex.org/W2889938001","https://openalex.org/W4293771607","https://openalex.org/W3165034028","https://openalex.org/W2296499206","https://openalex.org/W2413717610","https://openalex.org/W2917626761"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":3}],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2025-10-10T00:00:00"}