{"id":"https://openalex.org/W4226062292","doi":"https://doi.org/10.1021/acs.jcim.1c00811","title":"A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry","display_name":"A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry","publication_year":2021,"publication_date":"2021-12-20","ids":{"openalex":"https://openalex.org/W4226062292","doi":"https://doi.org/10.1021/acs.jcim.1c00811","pmid":"https://pubmed.ncbi.nlm.nih.gov/34928600"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.1c00811","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00811","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077202043","display_name":"Yuliana Zabolotna","orcid":"https://orcid.org/0000-0001-9068-612X"},"institutions":[{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Yuliana Zabolotna","raw_affiliation_strings":["University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051753602","display_name":"Dmitriy M. Volochnyuk","orcid":"https://orcid.org/0000-0001-6519-1467"},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210138712","display_name":"Institute of Organic Chemistry","ror":"https://ror.org/03t5hbz89","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210138712"]},{"id":"https://openalex.org/I5626980","display_name":"Enamine (Ukraine)","ror":"https://ror.org/02t6zky14","country_code":"UA","type":"company","lineage":["https://openalex.org/I5626980"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Dmitriy M. Volochnyuk","raw_affiliation_strings":["Enamine Ltd., 78 Chervonotkatska str., 02660 Kiev, Ukraine","Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanska Street 5, Kyiv 02660, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Enamine Ltd., 78 Chervonotkatska str., 02660 Kiev, Ukraine","institution_ids":["https://openalex.org/I5626980"]},{"raw_affiliation_string":"Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanska Street 5, Kyiv 02660, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210138712"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040807103","display_name":"Sergey V. Ryabukhin","orcid":"https://orcid.org/0000-0003-4281-8268"},"institutions":[{"id":"https://openalex.org/I189238007","display_name":"Taras Shevchenko National University of Kyiv","ror":"https://ror.org/02aaqv166","country_code":"UA","type":"education","lineage":["https://openalex.org/I189238007"]},{"id":"https://openalex.org/I5626980","display_name":"Enamine (Ukraine)","ror":"https://ror.org/02t6zky14","country_code":"UA","type":"company","lineage":["https://openalex.org/I5626980"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Sergey V. Ryabukhin","raw_affiliation_strings":["Enamine Ltd., 78 Chervonotkatska str., 02660 Kiev, Ukraine","The Institute of High Technologies, Kyiv National Taras Shevchenko University, 64 Volodymyrska Street, Kyiv 01601, Ukraine"],"raw_orcid":"https://orcid.org/0000-0003-4281-8268","affiliations":[{"raw_affiliation_string":"Enamine Ltd., 78 Chervonotkatska str., 02660 Kiev, Ukraine","institution_ids":["https://openalex.org/I5626980"]},{"raw_affiliation_string":"The Institute of High Technologies, Kyiv National Taras Shevchenko University, 64 Volodymyrska Street, Kyiv 01601, Ukraine","institution_ids":["https://openalex.org/I189238007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031667486","display_name":"Dragos Horvath","orcid":"https://orcid.org/0000-0003-0173-5714"},"institutions":[{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Dragos Horvath","raw_affiliation_strings":["University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France"],"raw_orcid":"https://orcid.org/0000-0003-0173-5714","affiliations":[{"raw_affiliation_string":"University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050547836","display_name":"Konstantin S. Gavrilenko","orcid":"https://orcid.org/0000-0001-7487-6660"},"institutions":[{"id":"https://openalex.org/I189238007","display_name":"Taras Shevchenko National University of Kyiv","ror":"https://ror.org/02aaqv166","country_code":"UA","type":"education","lineage":["https://openalex.org/I189238007"]},{"id":"https://openalex.org/I5626980","display_name":"Enamine (Ukraine)","ror":"https://ror.org/02t6zky14","country_code":"UA","type":"company","lineage":["https://openalex.org/I5626980"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Konstantin S. Gavrilenko","raw_affiliation_strings":["Enamine Ltd., 78 Chervonotkatska str., 02660 Kiev, Ukraine","Research-And-Education ChemBioCenter, National Taras Shevchenko University of Kyiv, Chervonotkatska str., 61, 03022 Kiev, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Enamine Ltd., 78 Chervonotkatska str., 02660 Kiev, Ukraine","institution_ids":["https://openalex.org/I5626980"]},{"raw_affiliation_string":"Research-And-Education ChemBioCenter, National Taras Shevchenko University of Kyiv, Chervonotkatska str., 61, 03022 Kiev, Ukraine","institution_ids":["https://openalex.org/I189238007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014604100","display_name":"Gilles Marcou","orcid":"https://orcid.org/0000-0003-1676-6708"},"institutions":[{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Gilles Marcou","raw_affiliation_strings":["University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France"],"raw_orcid":"https://orcid.org/0000-0003-1676-6708","affiliations":[{"raw_affiliation_string":"University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France","institution_ids":["https://openalex.org/I68947357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006999859","display_name":"Yurii S. Moroz","orcid":"https://orcid.org/0000-0001-6073-002X"},"institutions":[{"id":"https://openalex.org/I189238007","display_name":"Taras Shevchenko National University of Kyiv","ror":"https://ror.org/02aaqv166","country_code":"UA","type":"education","lineage":["https://openalex.org/I189238007"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Yurii S. Moroz","raw_affiliation_strings":["Chemspace, Chervonotkatska Street 78, 02094 Kyiv, Ukraine","Research-And-Education ChemBioCenter, National Taras Shevchenko University of Kyiv, Chervonotkatska str., 61, 03022 Kiev, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemspace, Chervonotkatska Street 78, 02094 Kyiv, Ukraine","institution_ids":[]},{"raw_affiliation_string":"Research-And-Education ChemBioCenter, National Taras Shevchenko University of Kyiv, Chervonotkatska str., 61, 03022 Kiev, Ukraine","institution_ids":["https://openalex.org/I189238007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071816928","display_name":"Olexandr Oksiuta","orcid":"https://orcid.org/0000-0003-3049-0373"},"institutions":[{"id":"https://openalex.org/I149851306","display_name":"National Academy of Sciences of Ukraine","ror":"https://ror.org/00je4t102","country_code":"UA","type":"government","lineage":["https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210138712","display_name":"Institute of Organic Chemistry","ror":"https://ror.org/03t5hbz89","country_code":"UA","type":"facility","lineage":["https://openalex.org/I149851306","https://openalex.org/I4210138712"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Oleksandr Oksiuta","raw_affiliation_strings":["Chemspace, Chervonotkatska Street 78, 02094 Kyiv, Ukraine","Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanska Street 5, Kyiv 02660, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemspace, Chervonotkatska Street 78, 02094 Kyiv, Ukraine","institution_ids":[]},{"raw_affiliation_string":"Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanska Street 5, Kyiv 02660, Ukraine","institution_ids":["https://openalex.org/I149851306","https://openalex.org/I4210138712"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5070041767","display_name":"Alexandre Varnek","orcid":"https://orcid.org/0000-0003-1886-925X"},"institutions":[{"id":"https://openalex.org/I205349734","display_name":"Hokkaido University","ror":"https://ror.org/02e16g702","country_code":"JP","type":"education","lineage":["https://openalex.org/I205349734"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","JP"],"is_corresponding":true,"raw_author_name":"Alexandre Varnek","raw_affiliation_strings":["Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021 Sapporo, Japan","University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France"],"raw_orcid":"https://orcid.org/0000-0003-1886-925X","affiliations":[{"raw_affiliation_string":"Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021 Sapporo, Japan","institution_ids":["https://openalex.org/I205349734"]},{"raw_affiliation_string":"University of Strasbourg, Laboratoire de Chemoinformatique, 4, rue B. Pascal, Strasbourg 67081, France","institution_ids":["https://openalex.org/I68947357"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5070041767"],"corresponding_institution_ids":["https://openalex.org/I205349734","https://openalex.org/I68947357"],"apc_list":null,"apc_paid":null,"fwci":4.3152,"has_fulltext":true,"cited_by_count":103,"citation_normalized_percentile":{"value":0.95772805,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"62","issue":"9","first_page":"2171","last_page":"2185"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9988999962806702,"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"}},"topics":[{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9988999962806702,"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"}},{"id":"https://openalex.org/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.9988999962806702,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980999827384949,"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/chemical-space","display_name":"Chemical space","score":0.9716380834579468},{"id":"https://openalex.org/keywords/synthon","display_name":"Synthon","score":0.7867679595947266},{"id":"https://openalex.org/keywords/chembl","display_name":"chEMBL","score":0.7732847332954407},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4998741149902344},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.4753027856349945},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.4615149199962616},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.45624297857284546},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4427950978279114},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.16425785422325134}],"concepts":[{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.9716380834579468},{"id":"https://openalex.org/C40869318","wikidata":"https://www.wikidata.org/wiki/Q899050","display_name":"Synthon","level":2,"score":0.7867679595947266},{"id":"https://openalex.org/C63222358","wikidata":"https://www.wikidata.org/wiki/Q6120337","display_name":"chEMBL","level":3,"score":0.7732847332954407},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4998741149902344},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.4753027856349945},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4615149199962616},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.45624297857284546},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4427950978279114},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.16425785422325134},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002626","descriptor_name":"Chemistry, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007202","descriptor_name":"Indicators and Reagents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007202","descriptor_name":"Indicators and Reagents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007202","descriptor_name":"Indicators and Reagents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.1c00811","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00811","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:34928600","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34928600","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},{"id":"pmh:oai:HAL:hal-03810673v1","is_oa":false,"landing_page_url":"https://hal.science/hal-03810673","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, 2022, 62 (9), pp.2171-2185. ⟨10.1021/acs.jcim.1c00811⟩","raw_type":"Journal articles"},{"id":"pmh:oai:eprints.lib.hokudai.ac.jp:2115/87610","is_oa":false,"landing_page_url":"http://hdl.handle.net/2115/87610","pdf_url":null,"source":{"id":"https://openalex.org/S4306400549","display_name":"Hokkaido University Collection of Scholarly and Academic Papers (Hokkaido University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205349734","host_organization_name":"Hokkaido University","host_organization_lineage":["https://openalex.org/I205349734"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"article (author version)"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322147","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":75,"referenced_works":["https://openalex.org/W1956858148","https://openalex.org/W1965815220","https://openalex.org/W1969487950","https://openalex.org/W1990810992","https://openalex.org/W1997027171","https://openalex.org/W2010630721","https://openalex.org/W2011911118","https://openalex.org/W2016836376","https://openalex.org/W2021395631","https://openalex.org/W2023175890","https://openalex.org/W2029666115","https://openalex.org/W2036405449","https://openalex.org/W2059032294","https://openalex.org/W2061741442","https://openalex.org/W2074274985","https://openalex.org/W2080854581","https://openalex.org/W2083441741","https://openalex.org/W2093371352","https://openalex.org/W2096095251","https://openalex.org/W2107636931","https://openalex.org/W2119039945","https://openalex.org/W2120035315","https://openalex.org/W2124234891","https://openalex.org/W2140009766","https://openalex.org/W2140010870","https://openalex.org/W2142309820","https://openalex.org/W2143831413","https://openalex.org/W2170146596","https://openalex.org/W2245900893","https://openalex.org/W2247581895","https://openalex.org/W2267018664","https://openalex.org/W2313408616","https://openalex.org/W2324089179","https://openalex.org/W2326763475","https://openalex.org/W2327876584","https://openalex.org/W2333625389","https://openalex.org/W2605908560","https://openalex.org/W2618604181","https://openalex.org/W2766720996","https://openalex.org/W2770765812","https://openalex.org/W2784918212","https://openalex.org/W2785609333","https://openalex.org/W2785942661","https://openalex.org/W2790692213","https://openalex.org/W2802104555","https://openalex.org/W2889555425","https://openalex.org/W2896725310","https://openalex.org/W2898222224","https://openalex.org/W2898750697","https://openalex.org/W2900090807","https://openalex.org/W2905917817","https://openalex.org/W2910203594","https://openalex.org/W2912802717","https://openalex.org/W2917407180","https://openalex.org/W2922715439","https://openalex.org/W2954055403","https://openalex.org/W2964588072","https://openalex.org/W2967210764","https://openalex.org/W2969595198","https://openalex.org/W2978551904","https://openalex.org/W2982161494","https://openalex.org/W3005471493","https://openalex.org/W3013877886","https://openalex.org/W3015464008","https://openalex.org/W3031049046","https://openalex.org/W3039860814","https://openalex.org/W3046364841","https://openalex.org/W3082339478","https://openalex.org/W3090240032","https://openalex.org/W3092705559","https://openalex.org/W3117153716","https://openalex.org/W3127746033","https://openalex.org/W3173770342","https://openalex.org/W3211043910","https://openalex.org/W4313457237"],"related_works":["https://openalex.org/W3005441379","https://openalex.org/W4207063555","https://openalex.org/W2604173773","https://openalex.org/W2997728144","https://openalex.org/W4210747027","https://openalex.org/W2770765812","https://openalex.org/W3117153716","https://openalex.org/W2791678506","https://openalex.org/W3018201610","https://openalex.org/W4385760073"],"abstract_inverted_index":{"The":[0,61,96],"ability":[1,20],"to":[2,70,117,131],"efficiently":[3],"synthesize":[4],"desired":[5],"compounds":[6],"can":[7],"be":[8],"a":[9,49,118,146],"limiting":[10],"factor":[11],"for":[12],"chemical":[13,54,62,155],"space":[14,55,63,156],"exploration":[15],"in":[16,93,103,129],"drug":[17],"discovery.":[18],"This":[19,142],"is":[21],"conditioned":[22],"not":[23],"only":[24],"by":[25,34,66,87],"the":[26,35,53,71,88,137],"existence":[27],"of":[28,37,52,56,80,99,105,121,153,160,165],"well-studied":[29],"synthetic":[30],"protocols":[31],"but":[32],"also":[33],"availability":[36],"corresponding":[38,67],"reagents,":[39],"so-called":[40],"building":[41],"blocks":[42],"(BBs).":[43],"In":[44],"this":[45],"work,":[46],"we":[47],"present":[48],"detailed":[50],"analysis":[51,79,164],"400":[57],"000":[58],"purchasable":[59],"BBs.":[60],"was":[64,143],"defined":[65],"synthons\u2500fragments":[68],"contributed":[69],"final":[72],"molecules":[73],"upon":[74],"reaction.":[75],"They":[76],"allow":[77],"an":[78],"BB":[81],"physicochemical":[82],"properties":[83],"and":[84,90,110,163,168],"diversity,":[85],"unbiased":[86],"leaving":[89],"protective":[91],"groups":[92],"actual":[94,138],"reagents.":[95],"main":[97],"classes":[98],"BBs":[100,113],"were":[101,114],"analyzed":[102],"terms":[104],"their":[106,166],"availability,":[107],"rule-of-two-defined":[108],"quality,":[109],"diversity.":[111],"Available":[112],"eventually":[115],"compared":[116],"reference":[119],"set":[120],"biologically":[122],"relevant":[123],"synthons":[124],"derived":[125],"from":[126],"ChEMBL":[127],"fragmentation,":[128],"order":[130],"illustrate":[132],"how":[133],"well":[134],"they":[135],"cover":[136],"medicinal":[139],"chemistry":[140],"needs.":[141],"performed":[144],"on":[145],"newly":[147],"constructed":[148],"universal":[149],"generative":[150],"topographic":[151],"map":[152],"synthon":[154],"that":[157],"enables":[158],"visualization":[159],"both":[161],"libraries":[162],"overlapped":[167],"library-specific":[169],"regions.":[170]},"counts_by_year":[{"year":2026,"cited_by_count":15},{"year":2025,"cited_by_count":35},{"year":2024,"cited_by_count":23},{"year":2023,"cited_by_count":18},{"year":2022,"cited_by_count":12}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}