乐胖代购免代理版

{"id":"https://openalex.org/W2077236856","doi":"https://doi.org/10.1021/ci800290h","title":"Toward Novel Universal Descriptors: Charge Fingerprints","display_name":"Toward Novel Universal Descriptors: Charge Fingerprints","publication_year":2009,"publication_date":"2009-02-12","ids":{"openalex":"https://openalex.org/W2077236856","doi":"https://doi.org/10.1021/ci800290h","mag":"2077236856","pmid":"https://pubmed.ncbi.nlm.nih.gov/19434903"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci800290h","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":null,"is_accepted":false,"is_published":false},"type":"article","type_crossref":"journal-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/A5046782981","display_name":"Frank R. Burden","orcid":null},"institutions":[{"id":"https://openalex.org/I4210154771","display_name":"CSIRO Manufacturing","ror":"https://ror.org/04sx9wp33","country_code":"AU","type":"facility","lineage":["https://openalex.org/I1292875679","https://openalex.org/I2801453606","https://openalex.org/I4210154771","https://openalex.org/I4387156119"]},{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Frank R. Burden","raw_affiliation_strings":["CSIRO Molecular & Health Technologies, Private Bag 10, Clayton South MDC, Clayton, Victoria 3169, Australia, School of Chemistry, Monash University, Clayton, Victoria 3168, Australia, and SciMetrics Limited, 548 Canning Street, Carlton North, Victoria 3054, Australia"],"affiliations":[{"raw_affiliation_string":"CSIRO Molecular & Health Technologies, Private Bag 10, Clayton South MDC, Clayton, Victoria 3169, Australia, School of Chemistry, Monash University, Clayton, Victoria 3168, Australia, and SciMetrics Limited, 548 Canning Street, Carlton North, Victoria 3054, Australia","institution_ids":["https://openalex.org/I4210154771","https://openalex.org/I56590836"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015386360","display_name":"Mitchell J. Polley","orcid":null},"institutions":[{"id":"https://openalex.org/I4210154771","display_name":"CSIRO Manufacturing","ror":"https://ror.org/04sx9wp33","country_code":"AU","type":"facility","lineage":["https://openalex.org/I1292875679","https://openalex.org/I2801453606","https://openalex.org/I4210154771","https://openalex.org/I4387156119"]},{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Mitchell J. Polley","raw_affiliation_strings":["CSIRO Molecular & Health Technologies, Private Bag 10, Clayton South MDC, Clayton, Victoria 3169, Australia, School of Chemistry, Monash University, Clayton, Victoria 3168, Australia, and SciMetrics Limited, 548 Canning Street, Carlton North, Victoria 3054, Australia"],"affiliations":[{"raw_affiliation_string":"CSIRO Molecular & Health Technologies, Private Bag 10, Clayton South MDC, Clayton, Victoria 3169, Australia, School of Chemistry, Monash University, Clayton, Victoria 3168, Australia, and SciMetrics Limited, 548 Canning Street, Carlton North, Victoria 3054, Australia","institution_ids":["https://openalex.org/I4210154771","https://openalex.org/I56590836"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076173216","display_name":"David A. Winkler","orcid":"https://orcid.org/0000-0002-7301-6076"},"institutions":[{"id":"https://openalex.org/I56590836","display_name":"Monash University","ror":"https://ror.org/02bfwt286","country_code":"AU","type":"education","lineage":["https://openalex.org/I56590836"]},{"id":"https://openalex.org/I4210154771","display_name":"CSIRO Manufacturing","ror":"https://ror.org/04sx9wp33","country_code":"AU","type":"facility","lineage":["https://openalex.org/I1292875679","https://openalex.org/I2801453606","https://openalex.org/I4210154771","https://openalex.org/I4387156119"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"David A. Winkler","raw_affiliation_strings":["CSIRO Molecular & Health Technologies, Private Bag 10, Clayton South MDC, Clayton, Victoria 3169, Australia, School of Chemistry, Monash University, Clayton, Victoria 3168, Australia, and SciMetrics Limited, 548 Canning Street, Carlton North, Victoria 3054, Australia"],"affiliations":[{"raw_affiliation_string":"CSIRO Molecular & Health Technologies, Private Bag 10, Clayton South MDC, Clayton, Victoria 3169, Australia, School of Chemistry, Monash University, Clayton, Victoria 3168, Australia, and SciMetrics Limited, 548 Canning Street, Carlton North, Victoria 3054, Australia","institution_ids":["https://openalex.org/I56590836","https://openalex.org/I4210154771"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":3.611,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":33,"citation_normalized_percentile":{"value":0.981714,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":92,"max":93},"biblio":{"volume":"49","issue":"3","first_page":"710","last_page":"715"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T12072","display_name":"Machine Learning and Algorithms","score":0.9751,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T12072","display_name":"Machine Learning and Algorithms","score":0.9751,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T10057","display_name":"Face and Expression Recognition","score":0.9662,"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/T12536","display_name":"Topological and Geometric Data Analysis","score":0.9555,"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"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.5005026},{"id":"https://openalex.org/C2777826928","wikidata":"https://www.wikidata.org/wiki/Q3745713","display_name":"Fingerprint (computing)","level":2,"score":0.41556323},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.41507715},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38706568},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.35838288},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33772168},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.33478546},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22783166},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14801788},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":"","qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012044","descriptor_name":"Regression Analysis","qualifier_ui":"","qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci800290h","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":null,"is_accepted":false,"is_published":false},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19434903","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":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"No poverty","score":0.8,"id":"https://metadata.un.org/sdg/1"}],"grants":[],"datasets":[],"versions":[],"referenced_works_count":32,"referenced_works":["https://openalex.org/W1967042264","https://openalex.org/W1970871633","https://openalex.org/W1974911216","https://openalex.org/W1975237886","https://openalex.org/W1981669099","https://openalex.org/W1988193593","https://openalex.org/W2000534078","https://openalex.org/W2001101330","https://openalex.org/W2006028730","https://openalex.org/W2008517160","https://openalex.org/W2016883812","https://openalex.org/W2019966295","https://openalex.org/W2021004839","https://openalex.org/W2024203393","https://openalex.org/W2025897779","https://openalex.org/W2027119244","https://openalex.org/W2033495141","https://openalex.org/W2044235819","https://openalex.org/W2046653925","https://openalex.org/W2051622977","https://openalex.org/W2052226480","https://openalex.org/W2053912744","https://openalex.org/W2060507543","https://openalex.org/W2066273100","https://openalex.org/W2068950612","https://openalex.org/W2077181304","https://openalex.org/W2088573039","https://openalex.org/W2090467197","https://openalex.org/W2168448016","https://openalex.org/W2213735563","https://openalex.org/W2952104947","https://openalex.org/W4236248134"],"related_works":["https://openalex.org/W4388857868","https://openalex.org/W3008853525","https://openalex.org/W2986003362","https://openalex.org/W2946784807","https://openalex.org/W2368132270","https://openalex.org/W2339806289","https://openalex.org/W2173185020","https://openalex.org/W2042327336","https://openalex.org/W2033914206","https://openalex.org/W109501413"],"abstract_inverted_index":{"Although":[0],"there":[1],"are":[2,22],"a":[3,36,51,58,78],"myriad":[4],"of":[5,40,54,61,63,77,81],"molecular":[6],"descriptors":[7,15,42],"for":[8,98,106],"QSAR":[9,75],"described":[10],"in":[11],"the":[12,66],"literature,":[13],"many":[14],"contain":[16],"similar":[17],"information":[18,23],"as":[19],"others":[20],"or":[21],"poor.":[24],"Recent":[25],"work":[26],"has":[27,104],"suggested":[28],"that":[29],"it":[30],"may":[31],"be":[32,47,88,96],"possible":[33],"to":[34,49,95],"discover":[35],"relatively":[37],"small":[38],"pool":[39],"'universal'":[41],"from":[43],"which":[44],"subsets":[45],"can":[46,72,87],"drawn":[48],"build":[50,73],"diverse":[52,79],"variety":[53],"models.":[55],"We":[56],"describe":[57],"new":[59],"type":[60],"descriptor":[62,70],"this":[64],"type,":[65],"charge":[67],"fingerprint.":[68],"This":[69],"family":[71],"good":[74],"models":[76],"range":[80],"physicochemical":[82],"and":[83,86,91,103],"biological":[84],"properties":[85],"calculated":[89],"quickly":[90],"easily.":[92],"It":[93],"appears":[94],"useful":[97],"modeling":[99],"large":[100,108],"data":[101],"sets":[102],"potential":[105],"screening":[107],"virtual":[109],"libraries.":[110]},"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2077236856","counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":2}],"updated_date":"2024-12-10T18:19:34.745345","created_date":"2016-06-24"}