{"id":"https://openalex.org/W2004797093","doi":"https://doi.org/10.1021/ci400418c","title":"De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach","display_name":"De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach","publication_year":2013,"publication_date":"2013-12-28","ids":{"openalex":"https://openalex.org/W2004797093","doi":"https://doi.org/10.1021/ci400418c","mag":"2004797093","pmid":"https://pubmed.ncbi.nlm.nih.gov/24372539"},"language":"en","primary_location":{"id":"doi:10.1021/ci400418c","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci400418c","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci400418c","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":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/ci400418c","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064056316","display_name":"Kentaro Kawai","orcid":"https://orcid.org/0000-0002-6291-0558"},"institutions":[{"id":"https://openalex.org/I4210087238","display_name":"Kaken Pharmaceutical (Japan)","ror":"https://ror.org/0059xpe44","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210087238"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Kentaro Kawai","raw_affiliation_strings":["Central Research\rLaboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho,\rYamashina, Kyoto 607-8042, Japan","Central Research Laboratories, Kaken Pharmaceutical Co. Ltd. , 14, Shinomiya Minamikawara-cho, Yamashina, Kyoto 607-8042, Japan"],"affiliations":[{"raw_affiliation_string":"Central Research\rLaboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho,\rYamashina, Kyoto 607-8042, Japan","institution_ids":["https://openalex.org/I4210087238"]},{"raw_affiliation_string":"Central Research Laboratories, Kaken Pharmaceutical Co. Ltd. , 14, Shinomiya Minamikawara-cho, Yamashina, Kyoto 607-8042, Japan","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060650182","display_name":"Naoya Nagata","orcid":"https://orcid.org/0000-0002-7930-1601"},"institutions":[{"id":"https://openalex.org/I4210087238","display_name":"Kaken Pharmaceutical (Japan)","ror":"https://ror.org/0059xpe44","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210087238"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Naoya Nagata","raw_affiliation_strings":["Central Research\rLaboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho,\rYamashina, Kyoto 607-8042, Japan","Central Research#R#Laboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho,#R#Yamashina, Kyoto 607-8042, Japan"],"affiliations":[{"raw_affiliation_string":"Central Research\rLaboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho,\rYamashina, Kyoto 607-8042, Japan","institution_ids":["https://openalex.org/I4210087238"]},{"raw_affiliation_string":"Central Research#R#Laboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho,#R#Yamashina, Kyoto 607-8042, Japan","institution_ids":["https://openalex.org/I4210087238"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5011893599","display_name":"Yoshimasa Takahashi","orcid":"https://orcid.org/0000-0001-6342-4087"},"institutions":[{"id":"https://openalex.org/I136259955","display_name":"Toyohashi University of Technology","ror":"https://ror.org/04ezg6d83","country_code":"JP","type":"education","lineage":["https://openalex.org/I136259955"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yoshimasa Takahashi","raw_affiliation_strings":["Department\rof Computer Science and Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku-cho, Toyohashi 441-8580, Japan","Department#R#of Computer Science and Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku-cho, Toyohashi 441-8580, Japan"],"affiliations":[{"raw_affiliation_string":"Department\rof Computer Science and Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku-cho, Toyohashi 441-8580, Japan","institution_ids":["https://openalex.org/I136259955"]},{"raw_affiliation_string":"Department#R#of Computer Science and Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku-cho, Toyohashi 441-8580, Japan","institution_ids":["https://openalex.org/I136259955"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5064056316"],"corresponding_institution_ids":["https://openalex.org/I4210087238"],"apc_list":null,"apc_paid":null,"fwci":3.7306,"has_fulltext":false,"cited_by_count":70,"citation_normalized_percentile":{"value":0.9300447,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"54","issue":"1","first_page":"49","last_page":"56"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9986000061035156,"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":0.9986000061035156,"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/T11016","display_name":"Monoclonal and Polyclonal Antibodies Research","score":0.9851999878883362,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9815000295639038,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fragment","display_name":"Fragment (logic)","score":0.9009057283401489},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5693784952163696},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.565962553024292},{"id":"https://openalex.org/keywords/mutation","display_name":"Mutation","score":0.5103006362915039},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.48044201731681824},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.46656978130340576},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.44196510314941406},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4061933755874634},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3981495499610901},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.39625614881515503},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.3498457074165344},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2369358241558075},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.2008684277534485},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.12331244349479675},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.12124678492546082},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.07203936576843262}],"concepts":[{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.9009057283401489},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5693784952163696},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.565962553024292},{"id":"https://openalex.org/C501734568","wikidata":"https://www.wikidata.org/wiki/Q42918","display_name":"Mutation","level":3,"score":0.5103006362915039},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.48044201731681824},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.46656978130340576},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.44196510314941406},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4061933755874634},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3981495499610901},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.39625614881515503},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3498457074165344},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2369358241558075},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.2008684277534485},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.12331244349479675},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.12124678492546082},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.07203936576843262},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","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}],"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":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","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":"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":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019020","descriptor_name":"Directed Molecular Evolution","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D019020","descriptor_name":"Directed Molecular Evolution","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D019020","descriptor_name":"Directed Molecular Evolution","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","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":"D043705","descriptor_name":"Receptor, Adenosine A2A","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D043705","descriptor_name":"Receptor, Adenosine A2A","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D043705","descriptor_name":"Receptor, Adenosine A2A","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D044282","descriptor_name":"Receptor, Serotonin, 5-HT1A","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D044282","descriptor_name":"Receptor, Serotonin, 5-HT1A","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D044282","descriptor_name":"Receptor, Serotonin, 5-HT1A","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci400418c","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci400418c","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci400418c","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":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:24372539","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24372539","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 chemical information and modeling","raw_type":null}],"best_oa_location":{"id":"doi:10.1021/ci400418c","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci400418c","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci400418c","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":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.550000011920929,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2004797093.pdf","grobid_xml":"https://content.openalex.org/works/W2004797093.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W1509196567","https://openalex.org/W1592238003","https://openalex.org/W1966316733","https://openalex.org/W1983122993","https://openalex.org/W1990065809","https://openalex.org/W1990472274","https://openalex.org/W1993640071","https://openalex.org/W1997388207","https://openalex.org/W1998693213","https://openalex.org/W2002042437","https://openalex.org/W2009299989","https://openalex.org/W2011230643","https://openalex.org/W2011647105","https://openalex.org/W2027087190","https://openalex.org/W2029295388","https://openalex.org/W2032924120","https://openalex.org/W2041686943","https://openalex.org/W2057753044","https://openalex.org/W2067866176","https://openalex.org/W2073627214","https://openalex.org/W2078048835","https://openalex.org/W2079104985","https://openalex.org/W2084845181","https://openalex.org/W2096541451","https://openalex.org/W2107160601","https://openalex.org/W2113863960","https://openalex.org/W2119099995","https://openalex.org/W2122010784","https://openalex.org/W2126823383","https://openalex.org/W2134015400","https://openalex.org/W2146984355","https://openalex.org/W2148379501","https://openalex.org/W2169678694","https://openalex.org/W2264332774","https://openalex.org/W2396663079","https://openalex.org/W4301123446"],"related_works":["https://openalex.org/W2023630889","https://openalex.org/W1980425862","https://openalex.org/W2973074952","https://openalex.org/W2090936831","https://openalex.org/W131203294","https://openalex.org/W2594328795","https://openalex.org/W2043850786","https://openalex.org/W2963031998","https://openalex.org/W4283395020","https://openalex.org/W3183930479"],"abstract_inverted_index":{"This":[0],"paper":[1],"describes":[2],"a":[3,49,57,65,105],"similarity-driven":[4],"simple":[5],"evolutionary":[6],"approach":[7,173],"to":[8,21,29,63,75,111,174],"producing":[9],"candidate":[10],"molecules":[11,109],"of":[12,17,53,82,107,114,120,171],"new":[13],"drugs.":[14],"The":[15,46,69,98],"aim":[16],"the":[18,23,30,88,112,115,121,130,147,150,154,169],"method":[19,47],"is":[20,61,72,85,101],"explore":[22],"candidates":[24],"that":[25],"are":[26,132,144],"structurally":[27],"similar":[28],"reference":[31,58,70,116],"molecule":[32,52,59,71],"and":[33,91,139,149],"yet":[34],"somewhat":[35],"different":[36],"in":[37],"not":[38],"only":[39],"peripheral":[40],"chains":[41],"but":[42],"also":[43,73],"their":[44],"scaffolds.":[45],"employs":[48],"known":[50,108],"active":[51],"our":[54,160,172],"interest":[55],"as":[56],"which":[60],"used":[62,74,125],"navigate":[64],"huge":[66],"chemical":[67],"space.":[68],"obtain":[76],"seed":[77,89],"fragments.":[78],"An":[79],"initial":[80],"set":[81],"individual":[83],"structures":[84],"prepared":[86,103,164],"with":[87,153,159],"fragments":[90,93,131],"additional":[92],"using":[94],"several":[95],"connection":[96],"rules.":[97],"fragment":[99,119,155,162],"library":[100,122,163],"preferably":[102],"from":[104,165],"collection":[106],"related":[110],"target":[113],"molecule.":[117],"Every":[118],"can":[123],"be":[124],"for":[126],"fragment-based":[127,151],"mutation.":[128],"All":[129],"categorized":[133],"into":[134],"three":[135],"classes;":[136],"rings,":[137],"linkers,":[138],"side":[140],"chains.":[141],"New":[142],"individuals":[143],"produced":[145],"by":[146],"crossover":[148],"mutation":[152],"library.":[156],"Computer":[157],"experiments":[158],"own":[161],"GPCR":[166],"SARfari":[167],"verified":[168],"feasibility":[170],"drug":[175],"discovery.":[176]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":6},{"year":2014,"cited_by_count":3}],"updated_date":"2026-03-10T16:38:18.471706","created_date":"2025-10-10T00:00:00"}
