{"id":"https://openalex.org/W4400196194","doi":"https://doi.org/10.1021/acs.jcim.4c00366","title":"Prediction and Interpretation Microglia Cytotoxicity by Machine Learning","display_name":"Prediction and Interpretation Microglia Cytotoxicity by Machine Learning","publication_year":2024,"publication_date":"2024-07-01","ids":{"openalex":"https://openalex.org/W4400196194","doi":"https://doi.org/10.1021/acs.jcim.4c00366","pmid":"https://pubmed.ncbi.nlm.nih.gov/38949724"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c00366","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00366","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/A5006358092","display_name":"Qing Liu","orcid":"https://orcid.org/0000-0003-1820-5007"},"institutions":[{"id":"https://openalex.org/I4391767858","display_name":"State Key Laboratory of Synthetical Automation for Process Industries","ror":"https://ror.org/0380ng272","country_code":null,"type":"facility","lineage":["https://openalex.org/I4391767858","https://openalex.org/I9224756"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qing Liu","raw_affiliation_strings":["College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China","institution_ids":["https://openalex.org/I9224756","https://openalex.org/I4391767858"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028079757","display_name":"Dakuo He","orcid":"https://orcid.org/0000-0001-8303-529X"},"institutions":[{"id":"https://openalex.org/I4391767858","display_name":"State Key Laboratory of Synthetical Automation for Process Industries","ror":"https://ror.org/0380ng272","country_code":null,"type":"facility","lineage":["https://openalex.org/I4391767858","https://openalex.org/I9224756"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Dakuo He","raw_affiliation_strings":["College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China","institution_ids":["https://openalex.org/I9224756","https://openalex.org/I4391767858"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102783460","display_name":"Mengmeng Fan","orcid":"https://orcid.org/0009-0005-6496-7426"},"institutions":[{"id":"https://openalex.org/I4391767858","display_name":"State Key Laboratory of Synthetical Automation for Process Industries","ror":"https://ror.org/0380ng272","country_code":null,"type":"facility","lineage":["https://openalex.org/I4391767858","https://openalex.org/I9224756"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mengmeng Fan","raw_affiliation_strings":["College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China","institution_ids":["https://openalex.org/I9224756","https://openalex.org/I4391767858"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001953649","display_name":"Jinpeng Wang","orcid":null},"institutions":[{"id":"https://openalex.org/I4391767858","display_name":"State Key Laboratory of Synthetical Automation for Process Industries","ror":"https://ror.org/0380ng272","country_code":null,"type":"facility","lineage":["https://openalex.org/I4391767858","https://openalex.org/I9224756"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jinpeng Wang","raw_affiliation_strings":["College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China","institution_ids":["https://openalex.org/I9224756","https://openalex.org/I4391767858"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103105973","display_name":"Zeyu Cui","orcid":"https://orcid.org/0009-0004-1725-7264"},"institutions":[{"id":"https://openalex.org/I4391767858","display_name":"State Key Laboratory of Synthetical Automation for Process Industries","ror":"https://ror.org/0380ng272","country_code":null,"type":"facility","lineage":["https://openalex.org/I4391767858","https://openalex.org/I9224756"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zeyu Cui","raw_affiliation_strings":["College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China","institution_ids":["https://openalex.org/I9224756","https://openalex.org/I4391767858"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100758813","display_name":"Hao Wang","orcid":"https://orcid.org/0009-0001-1678-4087"},"institutions":[{"id":"https://openalex.org/I4391767858","display_name":"State Key Laboratory of Synthetical Automation for Process Industries","ror":"https://ror.org/0380ng272","country_code":null,"type":"facility","lineage":["https://openalex.org/I4391767858","https://openalex.org/I9224756"]},{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hao Wang","raw_affiliation_strings":["College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China"],"affiliations":[{"raw_affiliation_string":"College of Information Science and Engineering, State Key Laboratory of Synthetical Automation for Process Industries, Northeastern University, Shenyang 110819, P. R. China","institution_ids":["https://openalex.org/I9224756","https://openalex.org/I4391767858"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112920728","display_name":"Yan Mi","orcid":null},"institutions":[{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yan Mi","raw_affiliation_strings":["Key Laboratory of Bioresource Research and Development of Liaoning Province, College of Life and Health Sciences, National Frontiers Science Center for Industrial Intelligence and Systems Optimization, Key Laboratory of Data Analytics and Optimization for Smart Industry, Ministry of Education, Northeastern University, Shenyang 110169, P. R. China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Bioresource Research and Development of Liaoning Province, College of Life and Health Sciences, National Frontiers Science Center for Industrial Intelligence and Systems Optimization, Key Laboratory of Data Analytics and Optimization for Smart Industry, Ministry of Education, Northeastern University, Shenyang 110169, P. R. China","institution_ids":["https://openalex.org/I9224756"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100368967","display_name":"Ning Li","orcid":null},"institutions":[{"id":"https://openalex.org/I103890011","display_name":"Shenyang Pharmaceutical University","ror":"https://ror.org/03dnytd23","country_code":"CN","type":"education","lineage":["https://openalex.org/I103890011"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ning Li","raw_affiliation_strings":["School of Traditional Chinese Materia Medica, Key Laboratory for TCM Material Basis Study and Innovative Drug Development of Shenyang City, Shenyang Pharmaceutical University, Shenyang 110016, P. R. China"],"affiliations":[{"raw_affiliation_string":"School of Traditional Chinese Materia Medica, Key Laboratory for TCM Material Basis Study and Innovative Drug Development of Shenyang City, Shenyang Pharmaceutical University, Shenyang 110016, P. R. China","institution_ids":["https://openalex.org/I103890011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047531133","display_name":"Qingqi Meng","orcid":"https://orcid.org/0000-0002-0233-9046"},"institutions":[{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qingqi Meng","raw_affiliation_strings":["Key Laboratory of Bioresource Research and Development of Liaoning Province, College of Life and Health Sciences, National Frontiers Science Center for Industrial Intelligence and Systems Optimization, Key Laboratory of Data Analytics and Optimization for Smart Industry, Ministry of Education, Northeastern University, Shenyang 110169, P. R. China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Bioresource Research and Development of Liaoning Province, College of Life and Health Sciences, National Frontiers Science Center for Industrial Intelligence and Systems Optimization, Key Laboratory of Data Analytics and Optimization for Smart Industry, Ministry of Education, Northeastern University, Shenyang 110169, P. R. China","institution_ids":["https://openalex.org/I9224756"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5109926993","display_name":"Yue Hou","orcid":null},"institutions":[{"id":"https://openalex.org/I9224756","display_name":"Northeastern University","ror":"https://ror.org/03awzbc87","country_code":"CN","type":"education","lineage":["https://openalex.org/I9224756"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yue Hou","raw_affiliation_strings":["Key Laboratory of Bioresource Research and Development of Liaoning Province, College of Life and Health Sciences, National Frontiers Science Center for Industrial Intelligence and Systems Optimization, Key Laboratory of Data Analytics and Optimization for Smart Industry, Ministry of Education, Northeastern University, Shenyang 110169, P. R. China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Bioresource Research and Development of Liaoning Province, College of Life and Health Sciences, National Frontiers Science Center for Industrial Intelligence and Systems Optimization, Key Laboratory of Data Analytics and Optimization for Smart Industry, Ministry of Education, Northeastern University, Shenyang 110169, P. R. China","institution_ids":["https://openalex.org/I9224756"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5028079757","https://openalex.org/A5109926993"],"corresponding_institution_ids":["https://openalex.org/I4391767858","https://openalex.org/I9224756"],"apc_list":null,"apc_paid":null,"fwci":2.467,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.89995961,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"64","issue":"24","first_page":"9306","last_page":"9326"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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":0.9995999932289124,"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/T12859","display_name":"Cell Image Analysis Techniques","score":0.9912999868392944,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.984000027179718,"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/microglia","display_name":"Microglia","score":0.7892100214958191},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"Cytotoxicity","score":0.7808196544647217},{"id":"https://openalex.org/keywords/interpretation","display_name":"Interpretation (philosophy)","score":0.6913793087005615},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5360667109489441},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4822331368923187},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.38068926334381104},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3307892680168152},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.32291704416275024},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.25457197427749634},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.1403300166130066},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.13379517197608948},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.09400427341461182},{"id":"https://openalex.org/keywords/inflammation","display_name":"Inflammation","score":0.08956190943717957}],"concepts":[{"id":"https://openalex.org/C2779830541","wikidata":"https://www.wikidata.org/wiki/Q1622829","display_name":"Microglia","level":3,"score":0.7892100214958191},{"id":"https://openalex.org/C109316439","wikidata":"https://www.wikidata.org/wiki/Q246181","display_name":"Cytotoxicity","level":3,"score":0.7808196544647217},{"id":"https://openalex.org/C527412718","wikidata":"https://www.wikidata.org/wiki/Q855395","display_name":"Interpretation (philosophy)","level":2,"score":0.6913793087005615},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5360667109489441},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4822331368923187},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.38068926334381104},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3307892680168152},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.32291704416275024},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.25457197427749634},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.1403300166130066},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.13379517197608948},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.09400427341461182},{"id":"https://openalex.org/C2776914184","wikidata":"https://www.wikidata.org/wiki/Q101991","display_name":"Inflammation","level":2,"score":0.08956190943717957},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D017628","descriptor_name":"Microglia","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D017628","descriptor_name":"Microglia","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D017628","descriptor_name":"Microglia","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D017628","descriptor_name":"Microglia","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017628","descriptor_name":"Microglia","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017628","descriptor_name":"Microglia","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D060388","descriptor_name":"Support Vector Machine","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":false},{"descriptor_ui":"D060388","descriptor_name":"Support Vector Machine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c00366","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00366","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:38949724","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38949724","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":null,"sustainable_development_goals":[{"score":0.5899999737739563,"id":"https://metadata.un.org/sdg/2","display_name":"Zero hunger"}],"awards":[{"id":"https://openalex.org/G2311391187","display_name":null,"funder_award_id":"B16009","funder_id":"https://openalex.org/F4320327912","funder_display_name":"Higher Education Discipline Innovation Project"},{"id":"https://openalex.org/G5578118176","display_name":null,"funder_award_id":"N182008004","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"},{"id":"https://openalex.org/G6364769980","display_name":null,"funder_award_id":"N2220002","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"}],"funders":[{"id":"https://openalex.org/F4320327912","display_name":"Higher Education Discipline Innovation Project","ror":null},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W1988037271","https://openalex.org/W2025580327","https://openalex.org/W2029927025","https://openalex.org/W2064440950","https://openalex.org/W2096810557","https://openalex.org/W2099071242","https://openalex.org/W2119512897","https://openalex.org/W2143426320","https://openalex.org/W2189911347","https://openalex.org/W2200017991","https://openalex.org/W2234529989","https://openalex.org/W2269909407","https://openalex.org/W2274985999","https://openalex.org/W2278722429","https://openalex.org/W2282821441","https://openalex.org/W2465634962","https://openalex.org/W2529996553","https://openalex.org/W2553303154","https://openalex.org/W2606483013","https://openalex.org/W2623527204","https://openalex.org/W2743260923","https://openalex.org/W2749279690","https://openalex.org/W2761058956","https://openalex.org/W2767034401","https://openalex.org/W2773131117","https://openalex.org/W2799593884","https://openalex.org/W2801991413","https://openalex.org/W2806547269","https://openalex.org/W2887381903","https://openalex.org/W2900694120","https://openalex.org/W2901476322","https://openalex.org/W2911964244","https://openalex.org/W2947671436","https://openalex.org/W2959938226","https://openalex.org/W2962398326","https://openalex.org/W2964944135","https://openalex.org/W2966357564","https://openalex.org/W2971065783","https://openalex.org/W2972433884","https://openalex.org/W2973049920","https://openalex.org/W3002514484","https://openalex.org/W3007309629","https://openalex.org/W3044527225","https://openalex.org/W3085821739","https://openalex.org/W3116202926","https://openalex.org/W3121819497","https://openalex.org/W3130309548","https://openalex.org/W3157427301","https://openalex.org/W3164716914","https://openalex.org/W3196214900","https://openalex.org/W3207373390","https://openalex.org/W4294215025","https://openalex.org/W4309332359","https://openalex.org/W4310785175","https://openalex.org/W4372330430","https://openalex.org/W4377030630","https://openalex.org/W4378745480","https://openalex.org/W4383894096","https://openalex.org/W4391111375","https://openalex.org/W4391609537"],"related_works":["https://openalex.org/W2885325217","https://openalex.org/W2546440307","https://openalex.org/W4287448745","https://openalex.org/W3130437983","https://openalex.org/W3176323037","https://openalex.org/W2076096323","https://openalex.org/W3048533658","https://openalex.org/W4308968236","https://openalex.org/W2972440269","https://openalex.org/W4210834908"],"abstract_inverted_index":{"Ameliorating":[0],"microglia-mediated":[1],"neuroinflammation":[2],"is":[3],"a":[4,83,92,99,106,261,271],"crucial":[5],"strategy":[6,109],"in":[7,57,229],"developing":[8],"new":[9],"drugs":[10,25],"for":[11,21,26,86,204,252,264,273],"neurodegenerative":[12,30],"diseases.":[13,31],"Plant":[14],"compounds":[15,49],"are":[16],"an":[17],"important":[18,43],"screening":[19,66],"target":[20],"the":[22,27,35,46,52,58,112,145,156,180,185,189,200,205,221,231],"discovery":[23],"of":[24,29,38,48,54,61,129,209,212,215,218],"treatment":[28],"However,":[32],"due":[33],"to":[34,44,133,171,177],"spatial":[36],"complexity":[37],"phytochemicals,":[39],"it":[40],"becomes":[41],"particularly":[42],"evaluate":[45],"effectiveness":[47],"while":[50],"avoiding":[51],"mixing":[53],"cytotoxic":[55],"substances":[56],"early":[59],"stages":[60],"compound":[62],"screening.":[63],"Traditional":[64],"high-throughput":[65],"methods":[67,132],"suffer":[68],"from":[69],"high":[70,175],"cost":[71],"and":[72,142,151,235,255],"low":[73],"efficiency.":[74],"A":[75],"computational":[76],"model":[77,181],"based":[78,110],"on":[79,111],"machine":[80,100,121,164],"learning":[81,101,122],"provides":[82],"novel":[84],"avenue":[85],"cytotoxicity":[87,94,136,187,233,266,276],"determination.":[88],"In":[89],"this":[90,118],"study,":[91],"microglia":[93,135,232,253,265],"classifier":[95,234],"was":[96,169,227],"developed":[97],"using":[98],"approach.":[102],"First,":[103],"we":[104],"proposed":[105],"data":[107],"splitting":[108],"molecule":[113],"murcko":[114],"generic":[115],"scaffold,":[116],"under":[117],"condition,":[119],"three":[120,127],"approaches":[123],"were":[124,139],"coupled":[125,191],"with":[126,161,174,192],"kinds":[128],"molecular":[130,172,275],"representation":[131],"construct":[134],"classifier,":[137],"which":[138],"then":[140],"compared":[141],"assessed":[143],"by":[144],"predictive":[146],"accuracy,":[147,149],"balanced":[148],"F<sub>1</sub>-score,":[150],"Matthews":[152],"Correlation":[153],"Coefficient.":[154],"Then,":[155],"recursive":[157],"feature":[158,196],"elimination":[159],"integrated":[160],"support":[162],"vector":[163],"(RFE-SVC)":[165],"dimension":[166],"reduction":[167],"method":[168,226],"introduced":[170],"fingerprints":[173],"dimensions":[176],"further":[178],"improve":[179],"performance.":[182],"Among":[183],"all":[184],"microglial":[186],"classifiers,":[188],"SVM":[190],"ECFP4":[193],"fingerprint":[194],"after":[195],"selection":[197],"(ECFP4-RFE-SVM)":[198],"obtained":[199],"most":[201],"accurate":[202],"classification":[203,250],"test":[206],"set":[207],"(ACC":[208],"0.99,":[210,213,216],"BA":[211],"F<sub>1</sub>-score":[214],"MCC":[217],"0.97).":[219],"Finally,":[220],"Shapley":[222],"additive":[223],"explanations":[224],"(SHAP)":[225],"used":[228],"interpreting":[230],"key":[236],"substructure":[237],"smart":[238],"identified":[239],"as":[240],"structural":[241],"alerts.":[242],"Experimental":[243],"results":[244],"show":[245],"that":[246],"ECFP4-RFE-SVM":[247],"have":[248],"reliable":[249],"capability":[251],"cytotoxicity,":[254],"SHAP":[256],"can":[257],"not":[258],"only":[259],"provide":[260],"rational":[262],"explanation":[263],"predictions,":[267],"but":[268],"also":[269],"offer":[270],"guideline":[272],"subsequent":[274],"modifications.":[277]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":1}],"updated_date":"2026-04-14T08:04:32.555800","created_date":"2025-10-10T00:00:00"}