乐胖代购免代理版

{"id":"https://openalex.org/W2131680520","doi":"https://doi.org/10.1186/1758-2946-4-s1-p4","title":"Design of multi-target activity landscapes that capture hierarchical activity cliff distributions","display_name":"Design of multi-target activity landscapes that capture hierarchical activity cliff distributions","publication_year":2012,"publication_date":"2012-05-01","ids":{"openalex":"https://openalex.org/W2131680520","doi":"https://doi.org/10.1186/1758-2946-4-s1-p4","mag":"2131680520","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/3341301"},"language":"en","primary_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-p4","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P4","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_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"type":"article","type_crossref":"journal-article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P4","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5067595174","display_name":"Dilyana Dimova","orcid":"https://orcid.org/0000-0003-3876-8974"},"institutions":[{"id":"https://openalex.org/I135140700","display_name":"University of Bonn","ror":"https://ror.org/041nas322","country_code":"DE","type":"funder","lineage":["https://openalex.org/I135140700"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Dilyana Dimova","raw_affiliation_strings":["Department of Life Science Informatics, B-IT, LIMES, Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Bonn, Germany."],"affiliations":[{"raw_affiliation_string":"Department of Life Science Informatics, B-IT, LIMES, Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Bonn, Germany.","institution_ids":["https://openalex.org/I135140700"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039926688","display_name":"J\u00fcrgen Bajorath","orcid":"https://orcid.org/0000-0002-0557-5714"},"institutions":[{"id":"https://openalex.org/I135140700","display_name":"University of Bonn","ror":"https://ror.org/041nas322","country_code":"DE","type":"funder","lineage":["https://openalex.org/I135140700"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"J\u00fcrgen Bajorath","raw_affiliation_strings":["Department of Life Science Informatics, B-IT, LIMES, Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Bonn, Germany."],"affiliations":[{"raw_affiliation_string":"Department of Life Science Informatics, B-IT, LIMES, Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universit\u00e4t, Bonn, Germany.","institution_ids":["https://openalex.org/I135140700"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.288,"has_fulltext":true,"fulltext_origin":"pdf","cited_by_count":2,"citation_normalized_percentile":{"value":0.498023,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":72,"max":75},"biblio":{"volume":"4","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9999,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9999,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9867,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T11440","display_name":"Click Chemistry and Applications","score":0.9643,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/cliff","display_name":"Cliff","score":0.8487697},{"id":"https://openalex.org/keywords/representation","display_name":"Representation","score":0.57274145},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.4813362}],"concepts":[{"id":"https://openalex.org/C164139821","wikidata":"https://www.wikidata.org/wiki/Q107679","display_name":"Cliff","level":2,"score":0.8487697},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.62950414},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.57274145},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5606675},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5473405},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.4813362},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.46698898},{"id":"https://openalex.org/C77618280","wikidata":"https://www.wikidata.org/wiki/Q1155772","display_name":"Scheme (mathematics)","level":2,"score":0.4189235},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.35304213},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.27587935},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.23696238},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.18955186},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.08724311},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.07315308},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"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/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-p4","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P4","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_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341301","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":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":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-p4","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P4","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_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"sustainable_development_goals":[{"score":0.53,"id":"https://metadata.un.org/sdg/15","display_name":"Life on land"}],"grants":[],"datasets":[],"versions":[],"referenced_works_count":7,"referenced_works":["https://openalex.org/W1571527653","https://openalex.org/W163566549","https://openalex.org/W2015558379","https://openalex.org/W2039609876","https://openalex.org/W2060415844","https://openalex.org/W2330150548","https://openalex.org/W4239346200"],"related_works":["https://openalex.org/W4296179769","https://openalex.org/W4244234990","https://openalex.org/W4233990179","https://openalex.org/W4230224204","https://openalex.org/W2513124405","https://openalex.org/W2505532926","https://openalex.org/W2261913916","https://openalex.org/W2150968680","https://openalex.org/W1909862446","https://openalex.org/W1571156853"],"abstract_inverted_index":{"An":[0],"activity":[1,98,116,123,134],"landscape":[2,24,46,99],"model":[3],"of":[4,26,36,42],"a":[5,13,53,57,96,110,121],"compound":[6,103],"data":[7],"set":[8],"can":[9],"be":[10],"rationalized":[11],"as":[12,138],"graphical":[14],"representation":[15],"that":[16,101],"integrates":[17,102],"molecular":[18],"similarity":[19],"and":[20,39,87,127],"potency":[21,104],"relationships.":[22],"Activity":[23,45],"representations":[25],"different":[27],"design":[28,100],"are":[29,83,118,128,136],"utilized":[30],"to":[31,68,85],"aid":[32],"in":[33,109,130],"the":[34,40],"analysis":[35],"structure\u2212activity":[37],"relationships":[38,105],"selection":[41],"informative":[43],"compounds.":[44],"models":[47],"reported":[48],"thus":[49],"far":[50],"focus":[51],"on":[52,120],"single":[54,58],"target":[55],"(i.e.,":[56],"biological":[59],"activity)":[60],"or":[61],"at":[62],"most":[63],"two":[64,77],"targets,":[65,78],"giving":[66],"rise":[67],"selectivity":[69],"landscapes.":[70],"For":[71],"compounds":[72],"active":[73],"against":[74],"more":[75],"than":[76],"landscapes":[79,117],"representing":[80],"multitarget":[81,115],"activities":[82],"difficult":[84],"conceptualize":[86],"have":[88],"not":[89],"yet":[90],"been":[91],"reported.":[92],"Herein,":[93],"we":[94],"present":[95],"first":[97],"across":[106],"multiple":[107],"targets":[108],"formally":[111],"consistent":[112],"manner.":[113],"These":[114],"based":[119],"general":[122],"cliff":[124],"classification":[125],"scheme":[126],"visualized":[129],"graph":[131],"representations,":[132],"where":[133],"cliffs":[135],"represented":[137],"edges.":[139],"Furth...":[140]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2131680520","counts_by_year":[{"year":2018,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2025-03-21T03:01:51.047809","created_date":"2016-06-24"}