{"id":"https://openalex.org/W2020447027","doi":"https://doi.org/10.1186/1758-2946-3-s1-o3","title":"Making sure there's a \"give\" associated with the \"take\": producing and using open-source software in big pharma","display_name":"Making sure there's a \"give\" associated with the \"take\": producing and using open-source software in big pharma","publication_year":2011,"publication_date":"2011-04-19","ids":{"openalex":"https://openalex.org/W2020447027","doi":"https://doi.org/10.1186/1758-2946-3-s1-o3","mag":"2020447027"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-3-s1-o3","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-s1-o3","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-3-S1-O3","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/10.1186/1758-2946-3-S1-O3","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","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"]},{"id":"https://openalex.org/I4400600974","display_name":"Novartis Institutes for BioMedical Research","ror":"https://ror.org/053gv2m95","country_code":null,"type":"funder","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Gregory Landrum","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","Novartis Institutes for Biomedical Research, Basel,  Switzerland"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]},{"raw_affiliation_string":"Novartis Institutes for Biomedical Research, Basel,  Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015356572","display_name":"Richard A. Lewis","orcid":"https://orcid.org/0000-0002-5478-8599"},"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"]},{"id":"https://openalex.org/I4400600974","display_name":"Novartis Institutes for BioMedical Research","ror":"https://ror.org/053gv2m95","country_code":null,"type":"funder","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Richard Lewis","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","Novartis Institutes for Biomedical Research, Basel,  Switzerland"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]},{"raw_affiliation_string":"Novartis Institutes for Biomedical Research, Basel,  Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025327485","display_name":"Andrew Palmer","orcid":"https://orcid.org/0000-0003-3863-8491"},"institutions":[{"id":"https://openalex.org/I4210117619","display_name":"Novartis (United States)","ror":"https://ror.org/028fhxy95","country_code":"US","type":"company","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4210117619"]},{"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","US"],"is_corresponding":false,"raw_author_name":"Andrew Palmer","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, Cambridge, MA, 02139, USA","Novartis Institutes for Biomedical Research,Cambridge,USA"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, Cambridge, MA, 02139, USA","institution_ids":["https://openalex.org/I4210117619"]},{"raw_affiliation_string":"Novartis Institutes for Biomedical Research,Cambridge,USA","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057292715","display_name":"Nikolaus Stiefl","orcid":"https://orcid.org/0000-0003-2562-7080"},"institutions":[{"id":"https://openalex.org/I4400600974","display_name":"Novartis Institutes for BioMedical Research","ror":"https://ror.org/053gv2m95","country_code":null,"type":"funder","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]},{"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":"Nikolaus Stiefl","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","Novartis Institutes for Biomedical Research, Basel,  Switzerland"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]},{"raw_affiliation_string":"Novartis Institutes for Biomedical Research, Basel,  Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072319898","display_name":"Anna Vulpetti","orcid":"https://orcid.org/0000-0002-3114-8679"},"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"]},{"id":"https://openalex.org/I4400600974","display_name":"Novartis Institutes for BioMedical Research","ror":"https://ror.org/053gv2m95","country_code":null,"type":"funder","lineage":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Anna Vulpetti","raw_affiliation_strings":["Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","Novartis Institutes for Biomedical Research, Basel,  Switzerland"],"affiliations":[{"raw_affiliation_string":"Novartis Institutes for BioMedical Research, Basel, CH-4002, Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]},{"raw_affiliation_string":"Novartis Institutes for Biomedical Research, Basel,  Switzerland","institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5056808182"],"corresponding_institution_ids":["https://openalex.org/I1283582996","https://openalex.org/I4400600974"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":4.4655,"has_fulltext":true,"cited_by_count":22,"citation_normalized_percentile":{"value":0.94186151,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"3","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":0.9926999807357788,"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":0.9926999807357788,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9800000190734863,"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/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.9728999733924866,"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/open-source","display_name":"Open source","score":0.7278628945350647},{"id":"https://openalex.org/keywords/open-source-software","display_name":"Open source software","score":0.6610455513000488},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5997245907783508},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.5209885239601135},{"id":"https://openalex.org/keywords/big-data","display_name":"Big data","score":0.5083109736442566},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.4864473342895508},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.37275445461273193},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.3216337561607361},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.23261591792106628},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.1407952606678009}],"concepts":[{"id":"https://openalex.org/C3018397939","wikidata":"https://www.wikidata.org/wiki/Q3644502","display_name":"Open source","level":3,"score":0.7278628945350647},{"id":"https://openalex.org/C2988343187","wikidata":"https://www.wikidata.org/wiki/Q1130645","display_name":"Open source software","level":3,"score":0.6610455513000488},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5997245907783508},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.5209885239601135},{"id":"https://openalex.org/C75684735","wikidata":"https://www.wikidata.org/wiki/Q858810","display_name":"Big data","level":2,"score":0.5083109736442566},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.4864473342895508},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.37275445461273193},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.3216337561607361},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.23261591792106628},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.1407952606678009}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-3-s1-o3","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-s1-o3","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-3-S1-O3","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:doaj.org/article:ca3d12cf7dd24ff082f66ca521e9bfd0","is_oa":true,"landing_page_url":"https://doaj.org/article/ca3d12cf7dd24ff082f66ca521e9bfd0","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 3, Iss Suppl 1, p O3 (2011)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:2091936","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3083556","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"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-3-s1-o3","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-s1-o3","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-3-S1-O3","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","score":0.6200000047683716,"id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2020447027.pdf","grobid_xml":"https://content.openalex.org/works/W2020447027.grobid-xml"},"referenced_works_count":2,"referenced_works":["https://openalex.org/W2009242551","https://openalex.org/W2035185380"],"related_works":["https://openalex.org/W4376877853","https://openalex.org/W4250928611","https://openalex.org/W4232280318","https://openalex.org/W166480398","https://openalex.org/W167327709","https://openalex.org/W4387839566","https://openalex.org/W2054706656","https://openalex.org/W4210922265","https://openalex.org/W4319870556","https://openalex.org/W1985865858"],"abstract_inverted_index":{"In":[0],"contrast":[1],"to":[2,96,100,153],"bioinformatics,":[3],"open-source":[4,62,80,89,131,169,181,201],"software":[5,36,81],"is":[6,39],"not":[7,74],"as":[8,77],"widely":[9],"used":[10],"in":[11,67,167,203],"the":[12,35,88,101,112,137,154,168,177,180],"pharmaceutical":[13],"industry":[14],"for":[15,23,34,139,161,176],"molecular":[16],"modeling":[17],"and":[18,31,91,115,147,163,173,199],"cheminformatics.":[19],"Typical":[20],"reasons":[21],"given":[22],"this":[24,38,103,130],"include":[25,135],"problems":[26],"with":[27,44,144,189,200],"code":[28,98],"quality,":[29],"stability,":[30],"long-term":[32],"support":[33,93,175],"(somehow":[37],"less":[40],"of":[41,48,60,79,87,111,120,123,129,192,196],"a":[42,108,118,158,190,204],"concern":[43],"bioinformatics":[45],"software...":[46],"kind":[47],"makes":[49],"one":[50],"think).":[51],"Recently,":[52],"our":[53,68],"group":[54],"has":[55],"started":[56],"making":[57],"heavy":[58],"use":[59,128],"an":[61],"cheminformatics":[63],"toolkit":[64,138],"RDKit":[65,113,178],"[1]":[66],"production":[69],"environment.":[70],"Importantly,":[71],"we":[72,83,105,125],"are":[73,84],"just":[75],"acting":[76],"consumers":[78],"--":[82],"active":[85],"members":[86],"community":[90],"have":[92,126],"from":[94],"management":[95],"contribute":[97],"back":[99],"project.\r\n\r\nIn":[102],"presentation":[104],"will":[106,134,187],"provide":[107],"brief":[109],"overview":[110],"itself":[114],"then":[116],"present":[117],"number":[119],"case":[121],"studies":[122],"how":[124],"made":[127],"platform.":[132],"Examples":[133],"using":[136],"method":[140],"development":[141],"[2,3],":[142],"integration":[143],"proprietary":[145],"tools,":[146],"some":[148,193],"recent":[149],"(and":[150],"upcoming)":[151],"contributions":[152],"open-souce":[155],"community,":[156],"including":[157],"database":[159,171],"cartridge":[160],"fast":[162],"flexible":[164],"similarity":[165],"searching":[166],"PostgreSQL":[170],"[4],":[172],"adding":[174],"within":[179],"pipelining":[182],"platform":[183],"Knime":[184],"[5].":[185],"We":[186],"finish":[188],"discussion":[191],"practical":[194],"aspects":[195],"working":[197],"on":[198],"tools":[202],"large":[205],"research":[206],"organization.":[207]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":4},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":1}],"updated_date":"2026-03-18T14:38:29.013473","created_date":"2025-10-10T00:00:00"}
