{"id":"https://openalex.org/W2162603056","doi":"https://doi.org/10.1186/1758-2946-5-5","title":"Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines","display_name":"Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines","publication_year":2013,"publication_date":"2013-01-21","ids":{"openalex":"https://openalex.org/W2162603056","doi":"https://doi.org/10.1186/1758-2946-5-5","mag":"2162603056","pmid":"https://pubmed.ncbi.nlm.nih.gov/23336706"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-5","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-5","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5042084472","display_name":"Sheng Tian","orcid":"https://orcid.org/0000-0003-4767-6262"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Sheng Tian","raw_affiliation_strings":["Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China. tingjunhou@hotmail.com","Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China. tingjunhou@hotmail.com","institution_ids":[]},{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035944985","display_name":"Youyong Li","orcid":"https://orcid.org/0000-0002-5248-2756"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Youyong Li","raw_affiliation_strings":["Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100643054","display_name":"Junmei Wang","orcid":"https://orcid.org/0000-0002-9607-8229"},"institutions":[{"id":"https://openalex.org/I867280407","display_name":"The University of Texas Southwestern Medical Center","ror":"https://ror.org/05byvp690","country_code":"US","type":"education","lineage":["https://openalex.org/I867280407"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Junmei Wang","raw_affiliation_strings":["Department of Biochemistry, The University of Texas Southwestern Medical Center, 5323 Harry Hines Blvd., Dallas, TX, 75390, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, The University of Texas Southwestern Medical Center, 5323 Harry Hines Blvd., Dallas, TX, 75390, USA","institution_ids":["https://openalex.org/I867280407"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103940920","display_name":"Xiaojie Xu","orcid":null},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaojie Xu","raw_affiliation_strings":["College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China","institution_ids":["https://openalex.org/I20231570"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061654403","display_name":"Lei Xu","orcid":"https://orcid.org/0000-0002-4095-6539"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lei Xu","raw_affiliation_strings":["Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100455472","display_name":"Xiaohong Wang","orcid":"https://orcid.org/0000-0003-2636-8260"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaohong Wang","raw_affiliation_strings":["Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084658435","display_name":"Lei Chen","orcid":"https://orcid.org/0000-0001-7812-508X"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lei Chen","raw_affiliation_strings":["Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028525523","display_name":"Tingjun Hou","orcid":"https://orcid.org/0000-0001-7227-2580"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Tingjun Hou","raw_affiliation_strings":["College of Pharmaceutical Sciences, Soochow University, Suzhou, Jiangsu, 215123, China","Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Pharmaceutical Sciences, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]},{"raw_affiliation_string":"Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu, 215123, China","institution_ids":["https://openalex.org/I3923682"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5028525523"],"corresponding_institution_ids":["https://openalex.org/I3923682"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":3.3513,"has_fulltext":true,"cited_by_count":27,"citation_normalized_percentile":{"value":0.92577457,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"5","issue":"1","first_page":"5","last_page":"5"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9340999722480774,"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":0.9340999722480774,"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/T12647","display_name":"Traditional Chinese Medicine Studies","score":0.010700000450015068,"subfield":{"id":"https://openalex.org/subfields/2707","display_name":"Complementary and alternative medicine"},"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/T13095","display_name":"Plant-based Medicinal Research","score":0.007300000172108412,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/scaffold","display_name":"Scaffold","score":0.808789849281311},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5579144358634949},{"id":"https://openalex.org/keywords/tree","display_name":"Tree (set theory)","score":0.4859008193016052},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.29079732298851013},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.2603020668029785},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.21576020121574402},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.19777938723564148},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.0870143473148346}],"concepts":[{"id":"https://openalex.org/C89429830","wikidata":"https://www.wikidata.org/wiki/Q735710","display_name":"Scaffold","level":2,"score":0.808789849281311},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5579144358634949},{"id":"https://openalex.org/C113174947","wikidata":"https://www.wikidata.org/wiki/Q2859736","display_name":"Tree (set theory)","level":2,"score":0.4859008193016052},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.29079732298851013},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2603020668029785},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.21576020121574402},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.19777938723564148},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0870143473148346},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/1758-2946-5-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-5","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:23336706","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23336706","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 cheminformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:6b616769cc6e4dfba0261a534e80f45c","is_oa":true,"landing_page_url":"https://doaj.org/article/6b616769cc6e4dfba0261a534e80f45c","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 5, Iss 1, p 5 (2013)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:2565642","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3561156","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-5-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-5","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.46000000834465027,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G2996495642","display_name":null,"funder_award_id":"20973121","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3643217661","display_name":null,"funder_award_id":"R21GM097617","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G470071733","display_name":null,"funder_award_id":"2012CB932600","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6978542633","display_name":null,"funder_award_id":"21173156","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8205281485","display_name":null,"funder_award_id":"2012CB932600","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320327518","display_name":"Priority Academic Program Development of Jiangsu Higher Education Institutions","ror":null},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2162603056.pdf","grobid_xml":"https://content.openalex.org/works/W2162603056.grobid-xml"},"referenced_works_count":32,"referenced_works":["https://openalex.org/W1969921890","https://openalex.org/W1973026729","https://openalex.org/W1983393839","https://openalex.org/W1984017257","https://openalex.org/W1988100721","https://openalex.org/W2000837423","https://openalex.org/W2003932717","https://openalex.org/W2009586290","https://openalex.org/W2011383364","https://openalex.org/W2015122936","https://openalex.org/W2028326521","https://openalex.org/W2037197585","https://openalex.org/W2041620837","https://openalex.org/W2048519277","https://openalex.org/W2049443929","https://openalex.org/W2051209863","https://openalex.org/W2059664977","https://openalex.org/W2060531713","https://openalex.org/W2086632126","https://openalex.org/W2106588364","https://openalex.org/W2128404766","https://openalex.org/W2133707654","https://openalex.org/W2133920756","https://openalex.org/W2141474275","https://openalex.org/W2142602210","https://openalex.org/W2161413777","https://openalex.org/W2162331245","https://openalex.org/W2168775915","https://openalex.org/W2170966614","https://openalex.org/W2179066627","https://openalex.org/W4230274588","https://openalex.org/W4232624118"],"related_works":["https://openalex.org/W2087397047","https://openalex.org/W2081717811","https://openalex.org/W2884765235","https://openalex.org/W2695162732","https://openalex.org/W2351880312","https://openalex.org/W3136373005","https://openalex.org/W2349140385","https://openalex.org/W2092217920","https://openalex.org/W1991154725","https://openalex.org/W3174329078"],"abstract_inverted_index":{"BACKGROUND:":[0],"In":[1],"order":[2],"to":[3,110,154,207,245],"better":[4],"understand":[5],"the":[6,16,51,83,87,95,100,106,112,116,121,124,156,161,166,170,177,194,203,208,216],"structural":[7,133,243],"features":[8],"of":[9,19,86,99,115,123,160,169,176,180],"natural":[10,36,198],"compounds":[11,21,29,37,199],"from":[12,56],"traditional":[13],"Chinese":[14,40],"medicines,":[15],"scaffold":[17,64,108,113,125,167,178],"architectures":[18,109,126,179],"drug-like":[20,189,262],"in":[22,30,38,89,128,191,200,221,229,237,247,255],"MACCS-II":[23],"Drug":[24],"Data":[25],"Report":[26],"(MDDR),":[27],"non-drug-like":[28],"Available":[31],"Chemical":[32],"Directory":[33],"(ACD),":[34],"and":[35,47,59,71,77,131,141,147,164,183,231,249,257,266],"Traditional":[39],"Medicine":[41],"Compound":[42],"Database":[43],"(TCMCD)":[44],"were":[45,54,135,152],"explored":[46],"compared.":[48],"RESULTS:":[49],"First,":[50],"different":[52,75],"scaffolds":[53,88,98,159,219,236,254],"extracted":[55],"ACD,":[57,250],"MDDR":[58,140,146,192,222,238],"TCMCD":[60,142,184,201,230,248,256],"by":[61,81],"using":[62],"three":[63,171],"representations,":[65],"including":[66],"Murcko":[67],"frameworks,":[68],"Scaffold":[69,101,162],"Tree,":[70],"ring":[72],"systems":[73],"with":[74,239],"complexity":[76],"side":[78],"chains.":[79],"Then,":[80],"examining":[82],"accumulative":[84],"frequency":[85,241],"each":[90],"dataset,":[91],"we":[92],"observed":[93,136,214],"that":[94,215,252],"Level":[96,157,217],"1":[97,158,218],"Tree":[102,150,163,209],"offer":[103],"advantages":[104],"over":[105],"other":[107],"represent":[111],"diversity":[114,196,225],"compound":[117],"libraries.":[118],"By":[119],"comparing":[120],"similarity":[122],"presented":[127,228],"MDDR,":[129,181],"ACD":[130,182,258],"TCMCD,":[132],"overlaps":[134],"not":[137],"only":[138],"between":[139,145],"but":[143],"also":[144],"ACD.":[148,232],"Finally,":[149],"Maps":[151],"used":[153],"cluster":[155],"visualize":[165],"space":[168],"datasets.":[172],"CONCLUSION:":[173],"The":[174],"analysis":[175],"shows":[185],"that,":[186],"on":[187],"average,":[188],"molecules":[190],"have":[193,202,223],"highest":[195,204],"while":[197],"complexity.":[205],"According":[206],"Maps,":[210],"it":[211],"can":[212],"be":[213,260],"present":[220],"higher":[224],"than":[226],"those":[227,246],"However,":[233],"some":[234,253],"representative":[235],"high":[240],"show":[242],"similarities":[244],"suggesting":[251],"may":[259],"potentially":[261],"fragments":[263],"for":[264],"fragment-based":[265],"de":[267],"novo":[268],"drug":[269],"design.":[270]},"counts_by_year":[{"year":2024,"cited_by_count":3},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2}],"updated_date":"2026-04-29T09:16:38.111599","created_date":"2025-10-10T00:00:00"}
