{"id":"https://openalex.org/W3087181314","doi":"https://doi.org/10.1021/acs.jcim.0c01000","title":"Code Sharing in the Open Science Era","display_name":"Code Sharing in the Open Science Era","publication_year":2020,"publication_date":"2020-09-16","ids":{"openalex":"https://openalex.org/W3087181314","doi":"https://doi.org/10.1021/acs.jcim.0c01000","mag":"3087181314","pmid":"https://pubmed.ncbi.nlm.nih.gov/32937075"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c01000","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01000","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01000","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"editorial","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01000","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5111724177","display_name":"W. Patrick Walters","orcid":null},"institutions":[{"id":"https://openalex.org/I4210116569","display_name":"Relay Therapeutics (United States)","ror":"https://ror.org/02bkgy413","country_code":"US","type":"company","lineage":["https://openalex.org/I4210116569"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"W. Patrick Walters","raw_affiliation_strings":["Relay Therapeutics, Inc., 215 First St., Cambridge, Massachusetts 02142, United States"],"raw_orcid":"https://orcid.org/0000-0001-5528-8839","affiliations":[{"raw_affiliation_string":"Relay Therapeutics, Inc., 215 First St., Cambridge, Massachusetts 02142, United States","institution_ids":["https://openalex.org/I4210116569"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5111724177"],"corresponding_institution_ids":["https://openalex.org/I4210116569"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":32,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":"60","issue":"10","first_page":"4417","last_page":"4420"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9944999814033508,"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":0.9944999814033508,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9538999795913696,"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/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.9491999745368958,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.9034590721130371},{"id":"https://openalex.org/keywords/code","display_name":"Code (set theory)","score":0.699188232421875},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6590688228607178},{"id":"https://openalex.org/keywords/publication","display_name":"Publication","score":0.5862293243408203},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.5377585887908936},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.40362197160720825},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.24583816528320312},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.18402943015098572},{"id":"https://openalex.org/keywords/political-science","display_name":"Political science","score":0.15756919980049133},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11774548888206482},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.0915381908416748}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.9034590721130371},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.699188232421875},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6590688228607178},{"id":"https://openalex.org/C41458344","wikidata":"https://www.wikidata.org/wiki/Q732577","display_name":"Publication","level":2,"score":0.5862293243408203},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.5377585887908936},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.40362197160720825},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.24583816528320312},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18402943015098572},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.15756919980049133},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11774548888206482},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0915381908416748},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D011643","descriptor_name":"Publishing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011643","descriptor_name":"Publishing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011643","descriptor_name":"Publishing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c01000","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01000","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01000","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:32937075","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32937075","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":{"id":"doi:10.1021/acs.jcim.0c01000","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01000","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01000","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.5899999737739563,"id":"https://metadata.un.org/sdg/5","display_name":"Gender equality"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W3087181314.pdf"},"referenced_works_count":10,"referenced_works":["https://openalex.org/W2039516744","https://openalex.org/W2610148085","https://openalex.org/W2809902670","https://openalex.org/W2900694120","https://openalex.org/W2901476322","https://openalex.org/W2903425689","https://openalex.org/W2931360560","https://openalex.org/W2953128081","https://openalex.org/W2980515854","https://openalex.org/W3030970797"],"related_works":["https://openalex.org/W1573015311","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/W3210319767","https://openalex.org/W132037564","https://openalex.org/W2917626761"],"abstract_inverted_index":{"Many":[0],"high-profile":[1],"scientific":[2],"journals":[3,22],"have":[4,31],"established":[5],"policies":[6],"mandating":[7],"the":[8,19,40,46,53],"release":[9],"of":[10,21,43,55],"code":[11,56],"accompanying":[12],"papers":[13,25],"that":[14,23],"describe":[15],"computational":[16,58],"methods.":[17],"Unfortunately,":[18],"majority":[20],"publish":[24],"in":[26],"Computational":[27],"Chemistry":[28],"and":[29,48],"Cheminformatics":[30],"yet":[32],"to":[33],"define":[34],"such":[35],"guidelines.":[36],"This":[37],"Viewpoint":[38],"reviews":[39],"current":[41],"state":[42],"reproducibility":[44],"for":[45,52],"field":[47],"makes":[49],"a":[50],"case":[51],"inclusion":[54],"with":[57],"papers.":[59]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":10},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1}],"updated_date":"2026-07-30T17:31:21.811387","created_date":"2025-10-10T00:00:00"}