{"id":"https://openalex.org/W2064543138","doi":"https://doi.org/10.1007/bf00126669","title":"Automatic search for maximum similarity between molecular electrostatic potential distributions","display_name":"Automatic search for maximum similarity between molecular electrostatic potential distributions","publication_year":1991,"publication_date":"1991-08-01","ids":{"openalex":"https://openalex.org/W2064543138","doi":"https://doi.org/10.1007/bf00126669","mag":"2064543138","pmid":"https://pubmed.ncbi.nlm.nih.gov/1665509"},"language":"en","primary_location":{"id":"doi:10.1007/bf00126669","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00126669","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5089541036","display_name":"F. Manaut","orcid":null},"institutions":[{"id":"https://openalex.org/I4210136145","display_name":"Municipal Institute for Medical Research","ror":"https://ror.org/039evc422","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210136145"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Francesc Manaut","raw_affiliation_strings":["Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Facultat de Medicina (U.A.B), Barcelona, Spain","Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Facultat de Medicina (U.A.B), Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]},{"raw_affiliation_string":"Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056335906","display_name":"Ferr\u00e1n Sanz","orcid":"https://orcid.org/0000-0002-7534-7661"},"institutions":[{"id":"https://openalex.org/I4210136145","display_name":"Municipal Institute for Medical Research","ror":"https://ror.org/039evc422","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210136145"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Ferran Sanz","raw_affiliation_strings":["Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, P.Maritim 25-29, 08003, Barcelona, Spain","Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, P.Maritim 25-29, 08003, Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]},{"raw_affiliation_string":"Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112152119","display_name":"Jaume Jos\ufffd","orcid":null},"institutions":[{"id":"https://openalex.org/I4210136145","display_name":"Municipal Institute for Medical Research","ror":"https://ror.org/039evc422","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210136145"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jaume Jos\ufffd","raw_affiliation_strings":["Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082197624","display_name":"Massimo Milesi","orcid":null},"institutions":[{"id":"https://openalex.org/I4210136145","display_name":"Municipal Institute for Medical Research","ror":"https://ror.org/039evc422","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210136145"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Massimo Milesi","raw_affiliation_strings":["Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, P.Maritim 25-29, 08003, Barcelona, Spain","Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, P.Maritim 25-29, 08003, Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]},{"raw_affiliation_string":"Facultat de Medicina (U.A.B), Institut Municipal d'Investigaci\u00f3 M\u00e8dica, Barcelona, Spain","institution_ids":["https://openalex.org/I4210136145"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":4.3784,"has_fulltext":false,"cited_by_count":69,"citation_normalized_percentile":{"value":0.95759482,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":null,"biblio":{"volume":"5","issue":"4","first_page":"371","last_page":"380"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.998199999332428,"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"}},"topics":[{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.998199999332428,"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.996999979019165,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9955000281333923,"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":[{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.7596782445907593},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5631301999092102},{"id":"https://openalex.org/keywords/benzylamine","display_name":"Benzylamine","score":0.5421605110168457},{"id":"https://openalex.org/keywords/chemical-similarity","display_name":"Chemical similarity","score":0.484756201505661},{"id":"https://openalex.org/keywords/rank","display_name":"Rank (graph theory)","score":0.45945435762405396},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.43905505537986755},{"id":"https://openalex.org/keywords/volume","display_name":"Volume (thermodynamics)","score":0.4308955669403076},{"id":"https://openalex.org/keywords/position","display_name":"Position (finance)","score":0.42913708090782166},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.339341938495636},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.33640003204345703},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3177933692932129},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2420397400856018},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.23687291145324707},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.22112348675727844},{"id":"https://openalex.org/keywords/structural-similarity","display_name":"Structural similarity","score":0.1661616563796997},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.13019728660583496},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.0937848687171936}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.7596782445907593},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5631301999092102},{"id":"https://openalex.org/C2776276205","wikidata":"https://www.wikidata.org/wiki/Q424000","display_name":"Benzylamine","level":2,"score":0.5421605110168457},{"id":"https://openalex.org/C24259465","wikidata":"https://www.wikidata.org/wiki/Q2272153","display_name":"Chemical similarity","level":3,"score":0.484756201505661},{"id":"https://openalex.org/C164226766","wikidata":"https://www.wikidata.org/wiki/Q7293202","display_name":"Rank (graph theory)","level":2,"score":0.45945435762405396},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.43905505537986755},{"id":"https://openalex.org/C20556612","wikidata":"https://www.wikidata.org/wiki/Q4469374","display_name":"Volume (thermodynamics)","level":2,"score":0.4308955669403076},{"id":"https://openalex.org/C198082294","wikidata":"https://www.wikidata.org/wiki/Q3399648","display_name":"Position (finance)","level":2,"score":0.42913708090782166},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.339341938495636},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.33640003204345703},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3177933692932129},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2420397400856018},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.23687291145324707},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.22112348675727844},{"id":"https://openalex.org/C139489369","wikidata":"https://www.wikidata.org/wiki/Q770846","display_name":"Structural similarity","level":2,"score":0.1661616563796997},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.13019728660583496},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0937848687171936},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D001596","descriptor_name":"Benzylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001596","descriptor_name":"Benzylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001596","descriptor_name":"Benzylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004563","descriptor_name":"Electrochemistry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004563","descriptor_name":"Electrochemistry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004563","descriptor_name":"Electrochemistry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005492","descriptor_name":"Folic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008727","descriptor_name":"Methotrexate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008727","descriptor_name":"Methotrexate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008727","descriptor_name":"Methotrexate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011956","descriptor_name":"Receptors, Cell Surface","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011956","descriptor_name":"Receptors, Cell Surface","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011956","descriptor_name":"Receptors, Cell Surface","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/bf00126669","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00126669","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:1665509","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/1665509","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.5799999833106995}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W221866821","https://openalex.org/W593131480","https://openalex.org/W1599458298","https://openalex.org/W1913396348","https://openalex.org/W1972313779","https://openalex.org/W1987034163","https://openalex.org/W2009997518","https://openalex.org/W2020832867","https://openalex.org/W2039322865","https://openalex.org/W2059699051","https://openalex.org/W2063152380","https://openalex.org/W2068566776","https://openalex.org/W2077255143","https://openalex.org/W2095587536","https://openalex.org/W2161117347","https://openalex.org/W2170773610","https://openalex.org/W6739189498"],"related_works":["https://openalex.org/W1987966112","https://openalex.org/W4292296636","https://openalex.org/W358917076","https://openalex.org/W2384995271","https://openalex.org/W2412446857","https://openalex.org/W2090768198","https://openalex.org/W1576126133","https://openalex.org/W2042007894","https://openalex.org/W4249871115","https://openalex.org/W22579956"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
