{"id":"https://openalex.org/W2147492781","doi":"https://doi.org/10.1023/a:1007977010551","title":"A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides","display_name":"A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides","publication_year":1998,"publication_date":"1998-01-01","ids":{"openalex":"https://openalex.org/W2147492781","doi":"https://doi.org/10.1023/a:1007977010551","mag":"2147492781","pmid":"https://pubmed.ncbi.nlm.nih.gov/9570091"},"language":"en","primary_location":{"id":"doi:10.1023/a:1007977010551","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1007977010551","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/A5103360662","display_name":"Jonas Nilsson","orcid":null},"institutions":[{"id":"https://openalex.org/I123387679","display_name":"Uppsala University","ror":"https://ror.org/048a87296","country_code":"SE","type":"education","lineage":["https://openalex.org/I123387679"]}],"countries":["SE"],"is_corresponding":true,"raw_author_name":"Jonas Nilsson","raw_affiliation_strings":["Department of Structural Chemistry, Pharmacia & Upjohn, Uppsala, Sweden","Department of Structural Chemistry, Pharmacia & Upjohn, S-75281, Uppsala, Sweden"],"affiliations":[{"raw_affiliation_string":"Department of Structural Chemistry, Pharmacia & Upjohn, Uppsala, Sweden","institution_ids":[]},{"raw_affiliation_string":"Department of Structural Chemistry, Pharmacia & Upjohn, S-75281, Uppsala, Sweden","institution_ids":["https://openalex.org/I123387679"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016071108","display_name":"Evert Homan","orcid":"https://orcid.org/0000-0002-9057-1848"},"institutions":[{"id":"https://openalex.org/I169381384","display_name":"University of Groningen","ror":"https://ror.org/012p63287","country_code":"NL","type":"education","lineage":["https://openalex.org/I169381384"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Evert J. Homan","raw_affiliation_strings":["Department of Medicinal Chemistry, University Centre for Pharmacy, Antonius Deusinglaan 1, 9713 AV, Groningen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, University Centre for Pharmacy, Antonius Deusinglaan 1, 9713 AV, Groningen, The Netherlands","institution_ids":["https://openalex.org/I169381384"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083251527","display_name":"Age K. Smilde","orcid":"https://orcid.org/0000-0002-3052-4644"},"institutions":[{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Age K. Smilde","raw_affiliation_strings":["Laboratory for Analytical Chemistry, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV, Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Laboratory for Analytical Chemistry, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV, Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I887064364"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014561284","display_name":"Cor J. Grol","orcid":null},"institutions":[{"id":"https://openalex.org/I169381384","display_name":"University of Groningen","ror":"https://ror.org/012p63287","country_code":"NL","type":"education","lineage":["https://openalex.org/I169381384"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Cor J. Grol","raw_affiliation_strings":["Department of Medicinal Chemistry, University Centre for Pharmacy, Antonius Deusinglaan 1, 9713 AV, Groningen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, University Centre for Pharmacy, Antonius Deusinglaan 1, 9713 AV, Groningen, The Netherlands","institution_ids":["https://openalex.org/I169381384"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030118197","display_name":"H\u00e5kan Wikstr\u00f6m","orcid":"https://orcid.org/0000-0001-9411-0099"},"institutions":[{"id":"https://openalex.org/I169381384","display_name":"University of Groningen","ror":"https://ror.org/012p63287","country_code":"NL","type":"education","lineage":["https://openalex.org/I169381384"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"H\u00e5kan Wikstr\u00f6m","raw_affiliation_strings":["Department of Medicinal Chemistry, University Centre for Pharmacy, Antonius Deusinglaan 1, 9713 AV, Groningen, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, University Centre for Pharmacy, Antonius Deusinglaan 1, 9713 AV, Groningen, The Netherlands","institution_ids":["https://openalex.org/I169381384"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5103360662"],"corresponding_institution_ids":["https://openalex.org/I123387679"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":3.5591,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.9334609,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":95},"biblio":{"volume":"12","issue":"1","first_page":"81","last_page":"93"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"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":0.9993000030517578,"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/T10274","display_name":"Synthesis and biological activity","score":0.9933000206947327,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9930999875068665,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.8244345784187317},{"id":"https://openalex.org/keywords/series","display_name":"Series (stratigraphy)","score":0.6006864309310913},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.41410499811172485},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.37989699840545654},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3491252064704895},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1069912314414978}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8244345784187317},{"id":"https://openalex.org/C143724316","wikidata":"https://www.wikidata.org/wiki/Q312468","display_name":"Series (stratigraphy)","level":2,"score":0.6006864309310913},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41410499811172485},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.37989699840545654},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3491252064704895},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1069912314414978},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","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},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017448","descriptor_name":"Receptors, Dopamine D2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017448","descriptor_name":"Receptors, Dopamine D2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017448","descriptor_name":"Receptors, Dopamine D2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018492","descriptor_name":"Dopamine Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D065127","descriptor_name":"Dopamine D2 Receptor Antagonists","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D065127","descriptor_name":"Dopamine D2 Receptor Antagonists","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D065127","descriptor_name":"Dopamine D2 Receptor Antagonists","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1023/a:1007977010551","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1007977010551","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:9570091","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/9570091","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},{"id":"pmh:oai:pure.amsterdamumc.nl:publications/29bab21e-f8a3-4e83-a013-38305c97df84","is_oa":false,"landing_page_url":"https://pure.amsterdamumc.nl/en/publications/29bab21e-f8a3-4e83-a013-38305c97df84","pdf_url":null,"source":{"id":"https://openalex.org/S7407055222","display_name":"Pure Amsterdam UMC","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nilsson, J, Homan, E J, Smilde, A K, Grol, C J & Wikstr\u00f6m, H 1998, 'A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides', Journal of computer-aided molecular design, vol. 12, no. 1, pp. 81-93. https://doi.org/10.1023/A:1007977010551","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:pure.rug.nl:openaire_cris_publications/efcca502-980a-4eca-a6b3-15a5abbe6160","is_oa":false,"landing_page_url":"https://research.rug.nl/en/publications/efcca502-980a-4eca-a6b3-15a5abbe6160","pdf_url":null,"source":{"id":"https://openalex.org/S4306400420","display_name":"University of Groningen research database (University of Groningen / Centre for Information Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I169381384","host_organization_name":"University of Groningen","host_organization_lineage":["https://openalex.org/I169381384"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nilsson, J, Homan, E J, Smilde, A K, Grol, C & Wikstr\u00f6m, H V 1998, 'A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides', Journal of Computer-Aided Molecular Design, vol. 12, no. 1, pp. 81 - 93.","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:amcpub:oai:pure.amc.nl:publications/3459c462-6f6b-468e-acda-1d509c19dd5d","is_oa":false,"landing_page_url":"https://pure.amc.nl/en/publications/a-multiway-3d-qsar-analysis-of-a-series-of-sn1ethyl2pyrrolidinylmethyl6methoxybenzamides(3459c462-6f6b-468e-acda-1d509c19dd5d).html","pdf_url":null,"source":{"id":"https://openalex.org/S4306401843","display_name":"Data Archiving and Networked Services (DANS)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1322597698","host_organization_name":"Royal Netherlands Academy of Arts and Sciences","host_organization_lineage":["https://openalex.org/I1322597698"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of computer-aided molecular design, 12(1), 81 - 93. Springer Netherlands","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":23,"referenced_works":["https://openalex.org/W1978675307","https://openalex.org/W1995852445","https://openalex.org/W2000215628","https://openalex.org/W2021916312","https://openalex.org/W2029009136","https://openalex.org/W2056118774","https://openalex.org/W2056856726","https://openalex.org/W2063060349","https://openalex.org/W2082625091","https://openalex.org/W2095099806","https://openalex.org/W2102667102","https://openalex.org/W2118868944","https://openalex.org/W2131124255","https://openalex.org/W2152513551","https://openalex.org/W2155639125","https://openalex.org/W2157495534","https://openalex.org/W2158863190","https://openalex.org/W2171741046","https://openalex.org/W2418002487","https://openalex.org/W2431237736","https://openalex.org/W2490075626","https://openalex.org/W2952472190","https://openalex.org/W4240255376"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834","https://openalex.org/W657579294"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}