{"id":"https://openalex.org/W2159486360","doi":"https://doi.org/10.1186/s13321-014-0038-2","title":"New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0","display_name":"New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0","publication_year":2014,"publication_date":"2014-08-02","ids":{"openalex":"https://openalex.org/W2159486360","doi":"https://doi.org/10.1186/s13321-014-0038-2","mag":"2159486360","pmid":"https://pubmed.ncbi.nlm.nih.gov/25302078"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-014-0038-2","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-014-0038-2","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-014-0038-2","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/s13321-014-0038-2","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5034678376","display_name":"Alex M. Clark","orcid":"https://orcid.org/0000-0002-3395-4666"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Alex M Clark","raw_affiliation_strings":["Molecular Materials Informatics, 1900 St. Jacques #302, Montreal H3J 2S1, Quebec, Canada","Molecular Materials Informatics, 1900 St. Jacques #302, Montreal, H3J 2S1, Quebec, Canada"],"affiliations":[{"raw_affiliation_string":"Molecular Materials Informatics, 1900 St. Jacques #302, Montreal H3J 2S1, Quebec, Canada","institution_ids":[]},{"raw_affiliation_string":"Molecular Materials Informatics, 1900 St. Jacques #302, Montreal, H3J 2S1, Quebec, Canada","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010855783","display_name":"Malabika Sarker","orcid":"https://orcid.org/0000-0001-7293-8805"},"institutions":[{"id":"https://openalex.org/I1298353152","display_name":"SRI International","ror":"https://ror.org/05s570m15","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I1298353152"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Malabika Sarker","raw_affiliation_strings":["SRI International, 333 Ravenswood Avenue, Menlo Park 94025, CA, USA","SRI International, 333 Ravenswood Avenue, Menlo Park, 94025, CA, USA"],"affiliations":[{"raw_affiliation_string":"SRI International, 333 Ravenswood Avenue, Menlo Park 94025, CA, USA","institution_ids":[]},{"raw_affiliation_string":"SRI International, 333 Ravenswood Avenue, Menlo Park, 94025, CA, USA","institution_ids":["https://openalex.org/I1298353152"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5073973321","display_name":"Sean Ekins","orcid":"https://orcid.org/0000-0002-5691-5790"},"institutions":[{"id":"https://openalex.org/I4210147836","display_name":"Collaborative Drug Discovery (United States)","ror":"https://ror.org/04b4sq284","country_code":"US","type":"company","lineage":["https://openalex.org/I4210147836"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Sean Ekins","raw_affiliation_strings":["Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame 94010, CA, USA ; Collaborations in Chemistry, 5616 Hilltop Needmore Road, Fuquay-Varina 27526, NC, USA","Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame, 94010, CA, USA"],"affiliations":[{"raw_affiliation_string":"Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame 94010, CA, USA ; Collaborations in Chemistry, 5616 Hilltop Needmore Road, Fuquay-Varina 27526, NC, USA","institution_ids":[]},{"raw_affiliation_string":"Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame, 94010, CA, USA","institution_ids":["https://openalex.org/I4210147836"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5073973321"],"corresponding_institution_ids":["https://openalex.org/I4210147836"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":4.4914,"has_fulltext":true,"cited_by_count":33,"citation_normalized_percentile":{"value":0.953125,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"6","issue":"1","first_page":"38","last_page":"38"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10038","display_name":"Tuberculosis Research and Epidemiology","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10038","display_name":"Tuberculosis Research and Epidemiology","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980999827384949,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9779999852180481,"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":0.7941495180130005},{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.6630204319953918},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.5709680318832397},{"id":"https://openalex.org/keywords/mobile-apps","display_name":"Mobile apps","score":0.489151269197464},{"id":"https://openalex.org/keywords/open-source","display_name":"Open source","score":0.48298847675323486},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.44249606132507324},{"id":"https://openalex.org/keywords/interactive-visualization","display_name":"Interactive visualization","score":0.411999374628067},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.340182900428772},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.27453577518463135},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.24709516763687134},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.18405380845069885}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7941495180130005},{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.6630204319953918},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.5709680318832397},{"id":"https://openalex.org/C2988145974","wikidata":"https://www.wikidata.org/wiki/Q620615","display_name":"Mobile apps","level":2,"score":0.489151269197464},{"id":"https://openalex.org/C3018397939","wikidata":"https://www.wikidata.org/wiki/Q3644502","display_name":"Open source","level":3,"score":0.48298847675323486},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.44249606132507324},{"id":"https://openalex.org/C64073096","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Interactive visualization","level":3,"score":0.411999374628067},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.340182900428772},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.27453577518463135},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.24709516763687134},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.18405380845069885},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/s13321-014-0038-2","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-014-0038-2","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-014-0038-2","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:25302078","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25302078","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:europepmc.org:3161279","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4190048","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/s13321-014-0038-2","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-014-0038-2","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-014-0038-2","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/W2159486360.pdf","grobid_xml":"https://content.openalex.org/works/W2159486360.grobid-xml"},"referenced_works_count":69,"referenced_works":["https://openalex.org/W1689761783","https://openalex.org/W1748144071","https://openalex.org/W1964141703","https://openalex.org/W1964484331","https://openalex.org/W1968135993","https://openalex.org/W1969378311","https://openalex.org/W1975031801","https://openalex.org/W1986106712","https://openalex.org/W1986288809","https://openalex.org/W1986378419","https://openalex.org/W1988037271","https://openalex.org/W1988600626","https://openalex.org/W1997018766","https://openalex.org/W2002400529","https://openalex.org/W2003408533","https://openalex.org/W2007560618","https://openalex.org/W2016861669","https://openalex.org/W2017078494","https://openalex.org/W2022659284","https://openalex.org/W2022891486","https://openalex.org/W2028988905","https://openalex.org/W2031441006","https://openalex.org/W2034080889","https://openalex.org/W2038627745","https://openalex.org/W2046613566","https://openalex.org/W2049773909","https://openalex.org/W2057869907","https://openalex.org/W2066835089","https://openalex.org/W2068604502","https://openalex.org/W2071914853","https://openalex.org/W2076764146","https://openalex.org/W2077249477","https://openalex.org/W2077727142","https://openalex.org/W2080024283","https://openalex.org/W2082252201","https://openalex.org/W2083878033","https://openalex.org/W2086023759","https://openalex.org/W2092581985","https://openalex.org/W2093775482","https://openalex.org/W2094999579","https://openalex.org/W2098889731","https://openalex.org/W2099536767","https://openalex.org/W2102952492","https://openalex.org/W2107184926","https://openalex.org/W2110670805","https://openalex.org/W2112331493","https://openalex.org/W2115544494","https://openalex.org/W2116652199","https://openalex.org/W2118054110","https://openalex.org/W2121277457","https://openalex.org/W2124462881","https://openalex.org/W2129805880","https://openalex.org/W2142565532","https://openalex.org/W2142602210","https://openalex.org/W2142733912","https://openalex.org/W2148797284","https://openalex.org/W2152933096","https://openalex.org/W2155741020","https://openalex.org/W2158658436","https://openalex.org/W2160400589","https://openalex.org/W2161865146","https://openalex.org/W2162151914","https://openalex.org/W2163576609","https://openalex.org/W2165015045","https://openalex.org/W2168447130","https://openalex.org/W2171048671","https://openalex.org/W2171660521","https://openalex.org/W2197266983","https://openalex.org/W2329563494"],"related_works":["https://openalex.org/W4302604134","https://openalex.org/W2006240110","https://openalex.org/W2909972699","https://openalex.org/W2751110224","https://openalex.org/W2039602384","https://openalex.org/W2496664377","https://openalex.org/W4312613920","https://openalex.org/W2288407995","https://openalex.org/W2147036980","https://openalex.org/W304756206"],"abstract_inverted_index":{"TB":[0,32,67],"Mobile":[1,33,68],"can":[2,11,34,50],"now":[3],"manage":[4],"a":[5,38,41,70],"small":[6],"collection":[7],"of":[8,44],"compounds":[9,53],"that":[10,31],"be":[12,35],"imported":[13],"from":[14],"external":[15],"sources,":[16],"or":[17,25],"exported":[18],"by":[19],"various":[20],"means":[21,30],"such":[22],"as":[23,37],"email":[24],"app-to-app":[26],"inter-process":[27],"communication.":[28],"This":[29],"used":[36],"node":[39],"within":[40],"growing":[42],"ecosystem":[43],"mobile":[45],"apps":[46],"for":[47],"cheminformatics.":[48],"It":[49],"also":[51],"cluster":[52],"and":[54,75],"use":[55],"internal":[56],"algorithms":[57],"to":[58],"help":[59],"identify":[60],"potential":[61],"targets":[62],"based":[63],"on":[64],"molecular":[65],"similarity.":[66],"represents":[69],"valuable":[71],"dataset,":[72],"data-visualization":[73],"aid":[74],"target":[76],"prediction":[77],"tool.":[78]},"counts_by_year":[{"year":2021,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":7},{"year":2015,"cited_by_count":10},{"year":2014,"cited_by_count":3}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}