{"id":"https://openalex.org/W1496188536","doi":"https://doi.org/10.1023/a:1023815426730","title":"Binding models of reversible inhibitors to type-B monoamine oxidase","display_name":"Binding models of reversible inhibitors to type-B monoamine oxidase","publication_year":2002,"publication_date":"2002-11-01","ids":{"openalex":"https://openalex.org/W1496188536","doi":"https://doi.org/10.1023/a:1023815426730","mag":"1496188536","pmid":"https://pubmed.ncbi.nlm.nih.gov/12825788"},"language":"en","primary_location":{"id":"doi:10.1023/a:1023815426730","is_oa":true,"landing_page_url":"https://doi.org/10.1023/a:1023815426730","pdf_url":"https://link.springer.com/content/pdf/10.1023/A:1023815426730.pdf","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":true,"oa_status":"bronze","oa_url":"https://link.springer.com/content/pdf/10.1023/A:1023815426730.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5012291954","display_name":"Antonio Carrieri","orcid":"https://orcid.org/0000-0002-7725-6667"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Antonio Carrieri","raw_affiliation_strings":["Dipartimento Farmaco-Chimico, Universit\u00e0 di Bari, Via Orabona 4, 70125 Bari, Italy. carrieri@farmchim.uniba.it","Dipartimento Farmaco-chimico, Universit\u00e0 di Bari, Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universit\u00e0 di Bari, Via Orabona 4, 70125 Bari, Italy. carrieri@farmchim.uniba.it","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Dipartimento Farmaco-chimico, Universit\u00e0 di Bari, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022770284","display_name":"Andrea Carotti","orcid":"https://orcid.org/0000-0001-6097-3996"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Andrea Carotti","raw_affiliation_strings":["Dipartimento Farmaco-Chimico, Universit\u00e0 di Bari, Via Orabona 4, 70125, Bari, Italy","Dipartimento Farmaco-chimico, Universit\u00e0 di Bari, Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universit\u00e0 di Bari, Via Orabona 4, 70125, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Dipartimento Farmaco-chimico, Universit\u00e0 di Bari, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013762333","display_name":"Maria Letizia Barreca","orcid":"https://orcid.org/0000-0003-3530-5042"},"institutions":[{"id":"https://openalex.org/I112862951","display_name":"University of Messina","ror":"https://ror.org/05ctdxz19","country_code":"IT","type":"education","lineage":["https://openalex.org/I112862951"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"M. Letizia Barreca","raw_affiliation_strings":["Dipartimento Farmaco-Chimico, Universit\u00e0 di Messina, Viale SS. Annunziata, 98168, Messina, Italy","Dipartimento Farmaco-Chimico, Universit\u00e0 di Messina,#R#Messina, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universit\u00e0 di Messina, Viale SS. Annunziata, 98168, Messina, Italy","institution_ids":["https://openalex.org/I112862951"]},{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universit\u00e0 di Messina,#R#Messina, Italy","institution_ids":["https://openalex.org/I112862951"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086336840","display_name":"Cosimo Altomare","orcid":"https://orcid.org/0000-0001-5016-5805"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Cosimo Altomare","raw_affiliation_strings":["Dipartimento Farmaco-Chimico, Universit\u00e0 di Bari, Via Orabona 4, 70125, Bari, Italy","Dipartimento Farmaco-chimico, Universit\u00e0 di Bari, Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento Farmaco-Chimico, Universit\u00e0 di Bari, Via Orabona 4, 70125, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Dipartimento Farmaco-chimico, Universit\u00e0 di Bari, Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5012291954"],"corresponding_institution_ids":["https://openalex.org/I5561750"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.6999,"has_fulltext":true,"cited_by_count":27,"citation_normalized_percentile":{"value":0.65770896,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"16","issue":"11","first_page":"769","last_page":"778"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9914000034332275,"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":0.9914000034332275,"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.9879999756813049,"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":0.9800999760627747,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.6753768920898438},{"id":"https://openalex.org/keywords/selegiline","display_name":"Selegiline","score":0.6466262340545654},{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.6307182312011719},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.576727032661438},{"id":"https://openalex.org/keywords/monoamine-oxidase-inhibitor","display_name":"Monoamine oxidase inhibitor","score":0.5212301015853882},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.5083469748497009},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5002565383911133},{"id":"https://openalex.org/keywords/monoamine-oxidase-b","display_name":"Monoamine oxidase B","score":0.46898704767227173},{"id":"https://openalex.org/keywords/monoamine-oxidase","display_name":"Monoamine oxidase","score":0.4206588864326477},{"id":"https://openalex.org/keywords/monoamine-oxidase-a","display_name":"Monoamine oxidase A","score":0.4197624623775482},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3359822630882263},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.18291404843330383},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.1714075207710266},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.11900261044502258},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.05780765414237976}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.6753768920898438},{"id":"https://openalex.org/C2776134090","wikidata":"https://www.wikidata.org/wiki/Q47495783","display_name":"Selegiline","level":4,"score":0.6466262340545654},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.6307182312011719},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.576727032661438},{"id":"https://openalex.org/C2778630814","wikidata":"https://www.wikidata.org/wiki/Q410954","display_name":"Monoamine oxidase inhibitor","level":4,"score":0.5212301015853882},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5083469748497009},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5002565383911133},{"id":"https://openalex.org/C39398028","wikidata":"https://www.wikidata.org/wiki/Q18028862","display_name":"Monoamine oxidase B","level":4,"score":0.46898704767227173},{"id":"https://openalex.org/C2776024655","wikidata":"https://www.wikidata.org/wiki/Q410867","display_name":"Monoamine oxidase","level":3,"score":0.4206588864326477},{"id":"https://openalex.org/C114461151","wikidata":"https://www.wikidata.org/wiki/Q14888415","display_name":"Monoamine oxidase A","level":4,"score":0.4197624623775482},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3359822630882263},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.18291404843330383},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.1714075207710266},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.11900261044502258},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.05780765414237976},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C2779734285","wikidata":"https://www.wikidata.org/wiki/Q11085","display_name":"Parkinson's disease","level":3,"score":0.0}],"mesh":[{"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":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","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":"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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008995","descriptor_name":"Monoamine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008995","descriptor_name":"Monoamine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008995","descriptor_name":"Monoamine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008995","descriptor_name":"Monoamine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008996","descriptor_name":"Monoamine Oxidase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","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":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1023/a:1023815426730","is_oa":true,"landing_page_url":"https://doi.org/10.1023/a:1023815426730","pdf_url":"https://link.springer.com/content/pdf/10.1023/A:1023815426730.pdf","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:12825788","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12825788","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:ricerca.uniba.it:11586/129035","is_oa":false,"landing_page_url":"http://hdl.handle.net/11586/129035","pdf_url":null,"source":{"id":"https://openalex.org/S4377196296","display_name":"CINECA IRIS Institutional Research Information System (University of Bari Aldo Moro)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I5561750","host_organization_name":"University of Bari Aldo Moro","host_organization_lineage":["https://openalex.org/I5561750"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1023/a:1023815426730","is_oa":true,"landing_page_url":"https://doi.org/10.1023/a:1023815426730","pdf_url":"https://link.springer.com/content/pdf/10.1023/A:1023815426730.pdf","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"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321873","display_name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca","ror":"https://ror.org/0166hxq48"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1496188536.pdf","grobid_xml":"https://content.openalex.org/works/W1496188536.grobid-xml"},"referenced_works_count":35,"referenced_works":["https://openalex.org/W69154181","https://openalex.org/W1531401772","https://openalex.org/W1971019239","https://openalex.org/W1975058685","https://openalex.org/W1975562146","https://openalex.org/W1987070324","https://openalex.org/W1993912281","https://openalex.org/W2003125470","https://openalex.org/W2010561544","https://openalex.org/W2011805684","https://openalex.org/W2012516949","https://openalex.org/W2018853173","https://openalex.org/W2021429428","https://openalex.org/W2024298846","https://openalex.org/W2026520291","https://openalex.org/W2044403069","https://openalex.org/W2057885343","https://openalex.org/W2063060349","https://openalex.org/W2075434487","https://openalex.org/W2080653934","https://openalex.org/W2083612512","https://openalex.org/W2092551867","https://openalex.org/W2095451361","https://openalex.org/W2111796195","https://openalex.org/W2113072231","https://openalex.org/W2118868944","https://openalex.org/W2128332459","https://openalex.org/W2131124255","https://openalex.org/W2131961995","https://openalex.org/W2132474236","https://openalex.org/W2134996660","https://openalex.org/W2228991947","https://openalex.org/W2949961537","https://openalex.org/W2950574659","https://openalex.org/W2951679156"],"related_works":["https://openalex.org/W2597484286","https://openalex.org/W2091806755","https://openalex.org/W4234978772","https://openalex.org/W2108628401","https://openalex.org/W1969794494","https://openalex.org/W2024309041","https://openalex.org/W633117273","https://openalex.org/W2975835807","https://openalex.org/W4385478","https://openalex.org/W2029767858"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":5}],"updated_date":"2026-06-19T15:47:20.252518","created_date":"2025-10-10T00:00:00"}
