{"id":"https://openalex.org/W2076590446","doi":"https://doi.org/10.1021/ci0504770","title":"Visualization of Large-Scale Aqueous Solubility Data Using a Novel Hierarchical Data Visualization Technique","display_name":"Visualization of Large-Scale Aqueous Solubility Data Using a Novel Hierarchical Data Visualization Technique","publication_year":2006,"publication_date":"2006-03-28","ids":{"openalex":"https://openalex.org/W2076590446","doi":"https://doi.org/10.1021/ci0504770","mag":"2076590446","pmid":"https://pubmed.ncbi.nlm.nih.gov/16711724"},"language":"en","primary_location":{"id":"doi:10.1021/ci0504770","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0504770","pdf_url":null,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5091285288","display_name":"Fumiyoshi Yamashita","orcid":"https://orcid.org/0000-0002-3503-8696"},"institutions":[{"id":"https://openalex.org/I114030911","display_name":"Otsuka (Japan)","ror":"https://ror.org/013k5y296","country_code":"JP","type":"company","lineage":["https://openalex.org/I114030911"]},{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]},{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Fumiyoshi Yamashita","raw_affiliation_strings":["Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan"],"affiliations":[{"raw_affiliation_string":"Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan","institution_ids":["https://openalex.org/I26120043","https://openalex.org/I114030911","https://openalex.org/I22299242"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071094223","display_name":"Takayuki Itoh","orcid":"https://orcid.org/0000-0002-1997-4644"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I114030911","display_name":"Otsuka (Japan)","ror":"https://ror.org/013k5y296","country_code":"JP","type":"company","lineage":["https://openalex.org/I114030911"]},{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takayuki Itoh","raw_affiliation_strings":["Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan"],"affiliations":[{"raw_affiliation_string":"Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan","institution_ids":["https://openalex.org/I26120043","https://openalex.org/I114030911","https://openalex.org/I22299242"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113871495","display_name":"Hideto Hara","orcid":null},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]},{"id":"https://openalex.org/I114030911","display_name":"Otsuka (Japan)","ror":"https://ror.org/013k5y296","country_code":"JP","type":"company","lineage":["https://openalex.org/I114030911"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hideto Hara","raw_affiliation_strings":["Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan"],"affiliations":[{"raw_affiliation_string":"Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan","institution_ids":["https://openalex.org/I26120043","https://openalex.org/I114030911","https://openalex.org/I22299242"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082694156","display_name":"Mitsuru Hashida","orcid":"https://orcid.org/0000-0001-7383-8080"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I114030911","display_name":"Otsuka (Japan)","ror":"https://ror.org/013k5y296","country_code":"JP","type":"company","lineage":["https://openalex.org/I114030911"]},{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Mitsuru Hashida","raw_affiliation_strings":["Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan"],"affiliations":[{"raw_affiliation_string":"Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshidashimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan, and Department of Information Sciences, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan","institution_ids":["https://openalex.org/I26120043","https://openalex.org/I114030911","https://openalex.org/I22299242"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5091285288"],"corresponding_institution_ids":["https://openalex.org/I114030911","https://openalex.org/I22299242","https://openalex.org/I26120043"],"apc_list":null,"apc_paid":null,"fwci":3.7374,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.93702686,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"46","issue":"3","first_page":"1054","last_page":"1059"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10799","display_name":"Data Visualization and Analytics","score":0.9937000274658203,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10799","display_name":"Data Visualization and Analytics","score":0.9937000274658203,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T12114","display_name":"Sensory Analysis and Statistical Methods","score":0.9832000136375427,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9362999796867371,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.783139705657959},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7242298126220703},{"id":"https://openalex.org/keywords/cluster-analysis","display_name":"Cluster analysis","score":0.5660176277160645},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5558430552482605},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.5437092185020447},{"id":"https://openalex.org/keywords/data-visualization","display_name":"Data visualization","score":0.5275686979293823},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.46798014640808105},{"id":"https://openalex.org/keywords/data-set","display_name":"Data set","score":0.4296829104423523},{"id":"https://openalex.org/keywords/class","display_name":"Class (philosophy)","score":0.42689526081085205},{"id":"https://openalex.org/keywords/information-visualization","display_name":"Information visualization","score":0.4154471755027771},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2715332508087158}],"concepts":[{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.783139705657959},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7242298126220703},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.5660176277160645},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5558430552482605},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.5437092185020447},{"id":"https://openalex.org/C172367668","wikidata":"https://www.wikidata.org/wiki/Q6504956","display_name":"Data visualization","level":3,"score":0.5275686979293823},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.46798014640808105},{"id":"https://openalex.org/C58489278","wikidata":"https://www.wikidata.org/wiki/Q1172284","display_name":"Data set","level":2,"score":0.4296829104423523},{"id":"https://openalex.org/C2777212361","wikidata":"https://www.wikidata.org/wiki/Q5127848","display_name":"Class (philosophy)","level":2,"score":0.42689526081085205},{"id":"https://openalex.org/C185578843","wikidata":"https://www.wikidata.org/wiki/Q10609775","display_name":"Information visualization","level":3,"score":0.4154471755027771},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2715332508087158},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"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/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci0504770","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0504770","pdf_url":null,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:16711724","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16711724","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":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":11,"referenced_works":["https://openalex.org/W1969654256","https://openalex.org/W1983919744","https://openalex.org/W1994267509","https://openalex.org/W2005055640","https://openalex.org/W2036291177","https://openalex.org/W2078565594","https://openalex.org/W2089463122","https://openalex.org/W2102798042","https://openalex.org/W4213332169","https://openalex.org/W4246354968","https://openalex.org/W4248107770"],"related_works":["https://openalex.org/W2105200106","https://openalex.org/W1574055964","https://openalex.org/W2295030662","https://openalex.org/W4225274103","https://openalex.org/W2923661510","https://openalex.org/W2147893003","https://openalex.org/W1938514595","https://openalex.org/W2035418841","https://openalex.org/W2547096368","https://openalex.org/W2520625499"],"abstract_inverted_index":{"It":[0],"is":[1,170],"a":[2,15,21,30,105,171,182],"difficult":[3],"task":[4],"to":[5,14,23,38,88,143,174],"recognize":[6],"the":[7,80,98,102,115,119,133,158],"trends":[8,116],"in":[9,79,118,146,164],"molecular":[10,159],"physical":[11],"properties":[12],"relevant":[13],"specific":[16],"chemical":[17,42],"class":[18],"and":[19,58,109,157],"find":[20],"way":[22],"optimize":[24],"potential":[25],"compounds.":[26],"We":[27],"present":[28],"here":[29],"novel":[31],"hierarchical":[32,110],"data":[33,48,67,92,121,134,151,184],"visualization":[34,135],"technique,":[35,136],"named":[36],"\"HeiankyoView\",":[37],"visualize":[39,89],"large-scale":[40,150,183],"multidimensional":[41],"information.":[43],"HeiankyoView":[44,84,169],"represents":[45],"hierarchically":[46],"organized":[47],"objects":[49,68],"by":[50],"mapping":[51],"leaf":[52],"nodes":[53,60],"as":[54,61,72,126],"colored":[55],"square":[56],"icons":[57,74],"nonleaf":[59],"rectangular":[62],"borders.":[63],"In":[64],"this":[65],"way,":[66],"can":[69],"be":[70,123],"expressed":[71],"equishaped":[73],"without":[75,137],"overlapping":[76],"one":[77],"another":[78],"two-dimensional":[81],"display":[82],"space.":[83],"has":[85],"been":[86],"applied":[87],"aqueous":[90,166],"solubility":[91,120],"for":[93],"908":[94],"compounds":[95],"collected":[96],"from":[97,148,181],"published":[99],"literature.":[100],"When":[101],"results":[103],"of":[104],"recursive":[106],"partitioning":[107],"analysis":[108,112],"clustering":[111],"were":[113],"visualized,":[114],"hidden":[117],"could":[122],"effectively":[124],"displayed":[125],"intuitively":[127,180],"understandable":[128],"visual":[129],"images.":[130],"Most":[131],"interestingly,":[132],"any":[138],"statistical":[139],"computations,":[140],"was":[141],"able":[142],"assist":[144],"us":[145,176],"extracting":[147],"such":[149],"meaningful":[152],"information":[153],"establishing":[154],"that":[155],"ClogP":[156],"weight":[160],"are":[161],"critical":[162],"factors":[163],"determining":[165],"solubility.":[167],"Thus,":[168],"powerful":[172],"tool":[173],"help":[175],"understand":[177],"structure-activity":[178],"relationships":[179],"set.":[185]},"counts_by_year":[{"year":2012,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
