{"id":"https://openalex.org/W1985043972","doi":"https://doi.org/10.1007/s10822-014-9748-9","title":"Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers","display_name":"Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers","publication_year":2014,"publication_date":"2014-05-19","ids":{"openalex":"https://openalex.org/W1985043972","doi":"https://doi.org/10.1007/s10822-014-9748-9","mag":"1985043972","pmid":"https://pubmed.ncbi.nlm.nih.gov/24840854"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-014-9748-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-014-9748-9","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/A5054673009","display_name":"Brienne Sprague","orcid":null},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Brienne Sprague","raw_affiliation_strings":["Department of Chemistry, Rutgers University, 315 Penn St., Camden, NJ, 08102, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Rutgers University, 315 Penn St., Camden, NJ, 08102, USA","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100746172","display_name":"Qian Shi","orcid":"https://orcid.org/0000-0002-2535-8119"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Qian Shi","raw_affiliation_strings":["Natural Products Research Laboratories, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, 310 Beard Hall, CB# 7568, Chapel Hill, NC, 27599-7568, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Natural Products Research Laboratories, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, 310 Beard Hall, CB# 7568, Chapel Hill, NC, 27599-7568, USA","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007338969","display_name":"Marlene T. Kim","orcid":"https://orcid.org/0000-0001-9749-6628"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marlene T. Kim","raw_affiliation_strings":["Department of Chemistry, Rutgers University, 315 Penn St., Camden, NJ, 08102, USA","The Rutgers Center for Computational and Integrative Biology, Camden, NJ, 08102, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Rutgers University, 315 Penn St., Camden, NJ, 08102, USA","institution_ids":["https://openalex.org/I102322142"]},{"raw_affiliation_string":"The Rutgers Center for Computational and Integrative Biology, Camden, NJ, 08102, USA","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100357088","display_name":"Liying Zhang","orcid":"https://orcid.org/0000-0002-1732-1615"},"institutions":[{"id":"https://openalex.org/I180857899","display_name":"Pfizer (United States)","ror":"https://ror.org/01xdqrp08","country_code":"US","type":"company","lineage":["https://openalex.org/I180857899"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Liying Zhang","raw_affiliation_strings":["Pfizer Worldwide Research and Development, Groton, CT, 06340, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pfizer Worldwide Research and Development, Groton, CT, 06340, USA","institution_ids":["https://openalex.org/I180857899"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061373526","display_name":"Alexander Sedykh","orcid":"https://orcid.org/0000-0002-2436-4066"},"institutions":[{"id":"https://openalex.org/I54606842","display_name":"Steelcase (United States)","ror":"https://ror.org/03d8jhc95","country_code":"US","type":"company","lineage":["https://openalex.org/I54606842"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alexander Sedykh","raw_affiliation_strings":["Multicase Inc, 23811 Chagrin Blvd, Suite 305, Beachwood, OH, 44122, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Multicase Inc, 23811 Chagrin Blvd, Suite 305, Beachwood, OH, 44122, USA","institution_ids":["https://openalex.org/I54606842"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021060939","display_name":"Eiichiro Ichiishi","orcid":"https://orcid.org/0000-0002-3493-6152"},"institutions":[{"id":"https://openalex.org/I79072001","display_name":"International University of Health and Welfare","ror":"https://ror.org/053d3tv41","country_code":"JP","type":"education","lineage":["https://openalex.org/I79072001"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Eiichiro Ichiishi","raw_affiliation_strings":["Department of Internal Medicine, International University of Health and Welfare Hospital, Tochigi, 329-2763, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Internal Medicine, International University of Health and Welfare Hospital, Tochigi, 329-2763, Japan","institution_ids":["https://openalex.org/I79072001"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109347898","display_name":"Harukuni Tokuda","orcid":null},"institutions":[{"id":"https://openalex.org/I10091056","display_name":"Kanazawa University","ror":"https://ror.org/02hwp6a56","country_code":"JP","type":"education","lineage":["https://openalex.org/I10091056"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Harukuni Tokuda","raw_affiliation_strings":["Department of Complementary and Alternative Medicine Clinical R&D, Kanazawa University of Graduate School of Medical Science, Kanazawa, 920-8640, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Complementary and Alternative Medicine Clinical R&D, Kanazawa University of Graduate School of Medical Science, Kanazawa, 920-8640, Japan","institution_ids":["https://openalex.org/I10091056"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005512198","display_name":"Kuo\u2010Hsiung Lee","orcid":"https://orcid.org/0000-0002-6562-0070"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]},{"id":"https://openalex.org/I184693016","display_name":"China Medical University","ror":"https://ror.org/00v408z34","country_code":"TW","type":"education","lineage":["https://openalex.org/I184693016"]},{"id":"https://openalex.org/I4210126829","display_name":"China Medical University Hospital","ror":"https://ror.org/0368s4g32","country_code":"TW","type":"healthcare","lineage":["https://openalex.org/I4210126829"]}],"countries":["TW","US"],"is_corresponding":false,"raw_author_name":"Kuo-Hsiung Lee","raw_affiliation_strings":["Chinese Medicine Research and Development Center, China Medical University and Hospital, Taichung, Taiwan","Natural Products Research Laboratories, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, 310 Beard Hall, CB# 7568, Chapel Hill, NC, 27599-7568, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chinese Medicine Research and Development Center, China Medical University and Hospital, Taichung, Taiwan","institution_ids":["https://openalex.org/I4210126829","https://openalex.org/I184693016"]},{"raw_affiliation_string":"Natural Products Research Laboratories, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, 310 Beard Hall, CB# 7568, Chapel Hill, NC, 27599-7568, USA","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026329292","display_name":"Hao Zhu","orcid":"https://orcid.org/0000-0002-3559-6129"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Hao Zhu","raw_affiliation_strings":["Department of Chemistry, Rutgers University, 315 Penn St., Camden, NJ, 08102, USA","The Rutgers Center for Computational and Integrative Biology, Camden, NJ, 08102, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Rutgers University, 315 Penn St., Camden, NJ, 08102, USA","institution_ids":["https://openalex.org/I102322142"]},{"raw_affiliation_string":"The Rutgers Center for Computational and Integrative Biology, Camden, NJ, 08102, USA","institution_ids":["https://openalex.org/I102322142"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5026329292","https://openalex.org/A5100746172"],"corresponding_institution_ids":["https://openalex.org/I102322142","https://openalex.org/I114027177"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":2.203,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.87169474,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"28","issue":"6","first_page":"631","last_page":"646"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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":0.9983000159263611,"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":0.9970999956130981,"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/random-forest","display_name":"Random forest","score":0.8454818725585938},{"id":"https://openalex.org/keywords/support-vector-machine","display_name":"Support vector machine","score":0.7494179606437683},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6550244688987732},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5583958625793457},{"id":"https://openalex.org/keywords/binary-classification","display_name":"Binary classification","score":0.5244384407997131},{"id":"https://openalex.org/keywords/cross-validation","display_name":"Cross-validation","score":0.5111539959907532},{"id":"https://openalex.org/keywords/binary-number","display_name":"Binary number","score":0.5033618807792664},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4887123107910156},{"id":"https://openalex.org/keywords/predictive-modelling","display_name":"Predictive modelling","score":0.450225293636322},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.41242268681526184},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3647194504737854},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.12924593687057495}],"concepts":[{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.8454818725585938},{"id":"https://openalex.org/C12267149","wikidata":"https://www.wikidata.org/wiki/Q282453","display_name":"Support vector machine","level":2,"score":0.7494179606437683},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6550244688987732},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5583958625793457},{"id":"https://openalex.org/C66905080","wikidata":"https://www.wikidata.org/wiki/Q17005494","display_name":"Binary classification","level":3,"score":0.5244384407997131},{"id":"https://openalex.org/C27181475","wikidata":"https://www.wikidata.org/wiki/Q541014","display_name":"Cross-validation","level":2,"score":0.5111539959907532},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.5033618807792664},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4887123107910156},{"id":"https://openalex.org/C45804977","wikidata":"https://www.wikidata.org/wiki/Q7239673","display_name":"Predictive modelling","level":2,"score":0.450225293636322},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.41242268681526184},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3647194504737854},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.12924593687057495},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","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":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016588","descriptor_name":"Anticarcinogenic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","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":"D060388","descriptor_name":"Support Vector Machine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D060388","descriptor_name":"Support Vector Machine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D060388","descriptor_name":"Support Vector Machine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":3,"locations":[{"id":"doi:10.1007/s10822-014-9748-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-014-9748-9","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:24840854","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24840854","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:europepmc.org:4527744","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5600879","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/15","score":0.7400000095367432,"display_name":"Life in Land"}],"awards":[{"id":"https://openalex.org/G2388884841","display_name":null,"funder_award_id":"R01 CA177584","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G2721062418","display_name":null,"funder_award_id":"CA 177584-01","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G272785802","display_name":null,"funder_award_id":"R15 ES023148","funder_id":"https://openalex.org/F4320337361","funder_display_name":"National Institute of Environmental Health Sciences"}],"funders":[{"id":"https://openalex.org/F4320322609","display_name":"China Medical University Hospital","ror":"https://ror.org/0368s4g32"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337361","display_name":"National Institute of Environmental Health Sciences","ror":"https://ror.org/00j4k1h63"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":69,"referenced_works":["https://openalex.org/W169312194","https://openalex.org/W1502314280","https://openalex.org/W1963863293","https://openalex.org/W1971318276","https://openalex.org/W1972330911","https://openalex.org/W1977573154","https://openalex.org/W1984779787","https://openalex.org/W1988618317","https://openalex.org/W1988716468","https://openalex.org/W1993795323","https://openalex.org/W1998137734","https://openalex.org/W1998572839","https://openalex.org/W2000879602","https://openalex.org/W2007882863","https://openalex.org/W2008201503","https://openalex.org/W2008252128","https://openalex.org/W2009613174","https://openalex.org/W2010606141","https://openalex.org/W2017102999","https://openalex.org/W2025704513","https://openalex.org/W2025895232","https://openalex.org/W2031249598","https://openalex.org/W2035654416","https://openalex.org/W2036732434","https://openalex.org/W2039774147","https://openalex.org/W2045617306","https://openalex.org/W2048374779","https://openalex.org/W2050564499","https://openalex.org/W2053043636","https://openalex.org/W2055801062","https://openalex.org/W2055908898","https://openalex.org/W2059930082","https://openalex.org/W2060106899","https://openalex.org/W2062837141","https://openalex.org/W2067475982","https://openalex.org/W2067943075","https://openalex.org/W2068518614","https://openalex.org/W2076448934","https://openalex.org/W2077801717","https://openalex.org/W2079739711","https://openalex.org/W2081718975","https://openalex.org/W2082849973","https://openalex.org/W2083769086","https://openalex.org/W2086031401","https://openalex.org/W2086772052","https://openalex.org/W2090194068","https://openalex.org/W2092675819","https://openalex.org/W2095995518","https://openalex.org/W2096098783","https://openalex.org/W2102346307","https://openalex.org/W2103084538","https://openalex.org/W2105381527","https://openalex.org/W2123991672","https://openalex.org/W2139171284","https://openalex.org/W2139993271","https://openalex.org/W2140083944","https://openalex.org/W2149880101","https://openalex.org/W2154968444","https://openalex.org/W2157735767","https://openalex.org/W2157851318","https://openalex.org/W2160961751","https://openalex.org/W2164654473","https://openalex.org/W2176516200","https://openalex.org/W2329646693","https://openalex.org/W2334300319","https://openalex.org/W2796936280","https://openalex.org/W4236852184","https://openalex.org/W4244572979","https://openalex.org/W4254851848"],"related_works":["https://openalex.org/W3191198889","https://openalex.org/W2000473249","https://openalex.org/W2791534013","https://openalex.org/W2802491896","https://openalex.org/W3011239835","https://openalex.org/W3124102327","https://openalex.org/W4385519210","https://openalex.org/W2040236930","https://openalex.org/W3121296535","https://openalex.org/W2944249082"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":2}],"updated_date":"2026-06-24T13:16:06.693445","created_date":"2025-10-10T00:00:00"}