{"id":"https://openalex.org/W4225252134","doi":"https://doi.org/10.1186/s13321-022-00600-z","title":"ChemInformatics Model Explorer (CIME): exploratory analysis of chemical model explanations","display_name":"ChemInformatics Model Explorer (CIME): exploratory analysis of chemical model explanations","publication_year":2022,"publication_date":"2022-04-04","ids":{"openalex":"https://openalex.org/W4225252134","doi":"https://doi.org/10.1186/s13321-022-00600-z","pmid":"https://pubmed.ncbi.nlm.nih.gov/35379315"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-022-00600-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-022-00600-z","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-022-00600-z","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/track/pdf/10.1186/s13321-022-00600-z","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5050292562","display_name":"Christina Humer","orcid":"https://orcid.org/0000-0002-0249-4062"},"institutions":[{"id":"https://openalex.org/I121883995","display_name":"Johannes Kepler University of Linz","ror":"https://ror.org/052r2xn60","country_code":"AT","type":"education","lineage":["https://openalex.org/I121883995"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Christina Humer","raw_affiliation_strings":["Johannes Kepler University Linz, Linz, Austria. christina.humer@jku.at","Johannes Kepler University Linz, Linz, Austria"],"affiliations":[{"raw_affiliation_string":"Johannes Kepler University Linz, Linz, Austria. christina.humer@jku.at","institution_ids":["https://openalex.org/I121883995"]},{"raw_affiliation_string":"Johannes Kepler University Linz, Linz, Austria","institution_ids":["https://openalex.org/I121883995"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090985150","display_name":"Henry Heberle","orcid":"https://orcid.org/0000-0003-1964-268X"},"institutions":[{"id":"https://openalex.org/I67348948","display_name":"Bayer (Germany)","ror":"https://ror.org/04hmn8g73","country_code":"DE","type":"company","lineage":["https://openalex.org/I67348948"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Henry Heberle","raw_affiliation_strings":["Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany. henry.heberle@bayer.com","Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany"],"affiliations":[{"raw_affiliation_string":"Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany. henry.heberle@bayer.com","institution_ids":["https://openalex.org/I67348948"]},{"raw_affiliation_string":"Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany","institution_ids":["https://openalex.org/I67348948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012941367","display_name":"Floriane Montanari","orcid":"https://orcid.org/0000-0002-4676-6170"},"institutions":[{"id":"https://openalex.org/I67348948","display_name":"Bayer (Germany)","ror":"https://ror.org/04hmn8g73","country_code":"DE","type":"company","lineage":["https://openalex.org/I67348948"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Floriane Montanari","raw_affiliation_strings":["Digital Technologies, Bayer AG, 13353, Berlin, DE, Germany"],"affiliations":[{"raw_affiliation_string":"Digital Technologies, Bayer AG, 13353, Berlin, DE, Germany","institution_ids":["https://openalex.org/I67348948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101415135","display_name":"Thomas Wolf","orcid":"https://orcid.org/0000-0001-9627-5567"},"institutions":[{"id":"https://openalex.org/I67348948","display_name":"Bayer (Germany)","ror":"https://ror.org/04hmn8g73","country_code":"DE","type":"company","lineage":["https://openalex.org/I67348948"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Thomas Wolf","raw_affiliation_strings":["Division Crop Science, Bayer AG, 65926, Frankfurt, DE, Germany"],"affiliations":[{"raw_affiliation_string":"Division Crop Science, Bayer AG, 65926, Frankfurt, DE, Germany","institution_ids":["https://openalex.org/I67348948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020302376","display_name":"F. Huber","orcid":"https://orcid.org/0000-0001-8265-0856"},"institutions":[{"id":"https://openalex.org/I67348948","display_name":"Bayer (Germany)","ror":"https://ror.org/04hmn8g73","country_code":"DE","type":"company","lineage":["https://openalex.org/I67348948"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Florian Huber","raw_affiliation_strings":["Division Crop Science, Bayer AG, 65926, Frankfurt, DE, Germany"],"affiliations":[{"raw_affiliation_string":"Division Crop Science, Bayer AG, 65926, Frankfurt, DE, Germany","institution_ids":["https://openalex.org/I67348948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006023729","display_name":"Ryan Henderson","orcid":null},"institutions":[{"id":"https://openalex.org/I67348948","display_name":"Bayer (Germany)","ror":"https://ror.org/04hmn8g73","country_code":"DE","type":"company","lineage":["https://openalex.org/I67348948"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ryan Henderson","raw_affiliation_strings":["Digital Technologies, Bayer AG, 13353, Berlin, DE, Germany"],"affiliations":[{"raw_affiliation_string":"Digital Technologies, Bayer AG, 13353, Berlin, DE, Germany","institution_ids":["https://openalex.org/I67348948"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102872139","display_name":"Julian Heinrich","orcid":"https://orcid.org/0000-0002-5353-3914"},"institutions":[{"id":"https://openalex.org/I67348948","display_name":"Bayer (Germany)","ror":"https://ror.org/04hmn8g73","country_code":"DE","type":"company","lineage":["https://openalex.org/I67348948"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Julian Heinrich","raw_affiliation_strings":["Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany. julian.heinrich@bayer.com","Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany"],"affiliations":[{"raw_affiliation_string":"Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany. julian.heinrich@bayer.com","institution_ids":["https://openalex.org/I67348948"]},{"raw_affiliation_string":"Division Crop Science, Bayer AG, 40789, Monheim am Rhein, DE, Germany","institution_ids":["https://openalex.org/I67348948"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5042080340","display_name":"Marc Streit","orcid":"https://orcid.org/0000-0001-9186-2092"},"institutions":[{"id":"https://openalex.org/I121883995","display_name":"Johannes Kepler University of Linz","ror":"https://ror.org/052r2xn60","country_code":"AT","type":"education","lineage":["https://openalex.org/I121883995"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Marc Streit","raw_affiliation_strings":["Johannes Kepler University Linz, Linz, Austria. marc.streit@jku.at","Johannes Kepler University Linz, Linz, Austria"],"affiliations":[{"raw_affiliation_string":"Johannes Kepler University Linz, Linz, Austria. marc.streit@jku.at","institution_ids":["https://openalex.org/I121883995"]},{"raw_affiliation_string":"Johannes Kepler University Linz, Linz, Austria","institution_ids":["https://openalex.org/I121883995"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5050292562"],"corresponding_institution_ids":["https://openalex.org/I121883995"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":5.4309,"has_fulltext":true,"cited_by_count":38,"citation_normalized_percentile":{"value":0.962901,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"14","issue":"1","first_page":"21","last_page":"21"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"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":0.9997000098228455,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9822999835014343,"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/cheminformatics","display_name":"Cheminformatics","score":0.9051681160926819},{"id":"https://openalex.org/keywords/interpretability","display_name":"Interpretability","score":0.8884847164154053},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7297742962837219},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.594066321849823},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.590208888053894},{"id":"https://openalex.org/keywords/multidisciplinary-approach","display_name":"Multidisciplinary approach","score":0.5593015551567078},{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.5121848583221436},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4405115842819214},{"id":"https://openalex.org/keywords/workstation","display_name":"Workstation","score":0.4201706349849701},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.3474116921424866},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.20733681321144104}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.9051681160926819},{"id":"https://openalex.org/C2781067378","wikidata":"https://www.wikidata.org/wiki/Q17027399","display_name":"Interpretability","level":2,"score":0.8884847164154053},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7297742962837219},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.594066321849823},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.590208888053894},{"id":"https://openalex.org/C22467394","wikidata":"https://www.wikidata.org/wiki/Q849359","display_name":"Multidisciplinary approach","level":2,"score":0.5593015551567078},{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.5121848583221436},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4405115842819214},{"id":"https://openalex.org/C67953723","wikidata":"https://www.wikidata.org/wiki/Q192525","display_name":"Workstation","level":2,"score":0.4201706349849701},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3474116921424866},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.20733681321144104},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C36289849","wikidata":"https://www.wikidata.org/wiki/Q34749","display_name":"Social science","level":1,"score":0.0},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0},{"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/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/s13321-022-00600-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-022-00600-z","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-022-00600-z","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:35379315","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35379315","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:pubmedcentral.nih.gov:8981840","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8981840","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:e5cb91d21c714110915bdee66e490bcf","is_oa":true,"landing_page_url":"https://doaj.org/article/e5cb91d21c714110915bdee66e490bcf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-14 (2022)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-022-00600-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-022-00600-z","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-022-00600-z","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":[],"awards":[{"id":"https://openalex.org/G1336190841","display_name":null,"funder_award_id":"FWF DFH 23--N","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"},{"id":"https://openalex.org/G5125718281","display_name":null,"funder_award_id":"-7-SEE-117","funder_id":"https://openalex.org/F4320328086","funder_display_name":"Bundesministerium f\u00fcr Bildung, Wissenschaft und Forschung"},{"id":"https://openalex.org/G5239532408","display_name":"Human-Centered Artificial Intelligence","funder_award_id":"DFH 23","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"},{"id":"https://openalex.org/G7556195080","display_name":null,"funder_award_id":"LIT-2019-7-SEE-117","funder_id":"https://openalex.org/F4320328086","funder_display_name":"Bundesministerium f\u00fcr Bildung, Wissenschaft und Forschung"},{"id":"https://openalex.org/G8184292771","display_name":null,"funder_award_id":"Project","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"}],"funders":[{"id":"https://openalex.org/F4320307771","display_name":"Bayer","ror":"https://ror.org/04hmn8g73"},{"id":"https://openalex.org/F4320321181","display_name":"Austrian Science Fund","ror":"https://ror.org/013tf3c58"},{"id":"https://openalex.org/F4320328086","display_name":"Bundesministerium f\u00fcr Bildung, Wissenschaft und Forschung","ror":"https://ror.org/03gng8t46"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4225252134.pdf","grobid_xml":"https://content.openalex.org/works/W4225252134.grobid-xml"},"referenced_works_count":58,"referenced_works":["https://openalex.org/W151377110","https://openalex.org/W1966613725","https://openalex.org/W1981276685","https://openalex.org/W1988037271","https://openalex.org/W1999638776","https://openalex.org/W2008505552","https://openalex.org/W2008517160","https://openalex.org/W2009253909","https://openalex.org/W2011301426","https://openalex.org/W2030205108","https://openalex.org/W2058854359","https://openalex.org/W2074473216","https://openalex.org/W2113025130","https://openalex.org/W2115556748","https://openalex.org/W2138778824","https://openalex.org/W2146211839","https://openalex.org/W2146844279","https://openalex.org/W2155478691","https://openalex.org/W2162825485","https://openalex.org/W2183165690","https://openalex.org/W2195203261","https://openalex.org/W2200017991","https://openalex.org/W2594183968","https://openalex.org/W2760085125","https://openalex.org/W2777416523","https://openalex.org/W2804721500","https://openalex.org/W2807795618","https://openalex.org/W2900090807","https://openalex.org/W2940024920","https://openalex.org/W2962222595","https://openalex.org/W2973049920","https://openalex.org/W2975605169","https://openalex.org/W2976033179","https://openalex.org/W2978934711","https://openalex.org/W2979481854","https://openalex.org/W2992586577","https://openalex.org/W2995345309","https://openalex.org/W2999615587","https://openalex.org/W3005806855","https://openalex.org/W3008588639","https://openalex.org/W3011179515","https://openalex.org/W3030978062","https://openalex.org/W3037856607","https://openalex.org/W3042939456","https://openalex.org/W3043835738","https://openalex.org/W3048065091","https://openalex.org/W3087318293","https://openalex.org/W3091834704","https://openalex.org/W3092212286","https://openalex.org/W3096163943","https://openalex.org/W3111995631","https://openalex.org/W3128435455","https://openalex.org/W3167523213","https://openalex.org/W3197822619","https://openalex.org/W4210653692","https://openalex.org/W4243029310","https://openalex.org/W6601846001","https://openalex.org/W6605394581"],"related_works":["https://openalex.org/W2905433371","https://openalex.org/W2888392564","https://openalex.org/W4310278675","https://openalex.org/W4388422664","https://openalex.org/W4390569940","https://openalex.org/W4361193272","https://openalex.org/W1573015311","https://openalex.org/W2963326959","https://openalex.org/W4388685194","https://openalex.org/W4312407344"],"abstract_inverted_index":{"The":[0,64,175],"introduction":[1],"of":[2,67,92,94,107,135,173],"machine":[3,136],"learning":[4,137],"to":[5,28,58,96,118,159],"small":[6,85,140],"molecule":[7,86],"research-":[8],"an":[9,152],"inherently":[10],"multidisciplinary":[11],"field":[12,66],"in":[13,101],"which":[14,100],"chemists":[15,57],"and":[16,22,48,61,170,179],"data":[17,162],"scientists":[18],"combine":[19],"their":[20,97],"expertise":[21],"collaborate":[23],"-":[24],"has":[25],"been":[26,46],"vital":[27],"making":[29],"screening":[30],"processes":[31],"more":[32],"efficient.":[33],"In":[34,84],"recent":[35],"years,":[36],"numerous":[37],"models":[38,138],"that":[39,80,110,128,156],"predict":[40],"pharmacokinetic":[41],"properties":[42],"or":[43,186],"bioactivity":[44],"have":[45,111],"published,":[47],"these":[49],"are":[50],"used":[51],"on":[52,115,183],"a":[53,82,184,187],"daily":[54],"basis":[55],"by":[56],"make":[59],"decisions":[60],"prioritize":[62],"ideas.":[63],"emerging":[65],"explainable":[68],"artificial":[69],"intelligence":[70],"is":[71,123,177],"opening":[72],"up":[73],"new":[74],"possibilities":[75],"for":[76,139],"understanding":[77],"the":[78,105,108,112,116],"reasoning":[79],"underlies":[81],"model.":[83],"research,":[87],"this":[88,144],"means":[89],"relating":[90],"contributions":[91],"substructures":[93],"compounds":[95,109],"predicted":[98],"properties,":[99],"turn":[102],"also":[103],"allows":[104,157],"areas":[106],"greatest":[113],"influence":[114],"outcome":[117],"be":[119,181],"identified.":[120],"However,":[121],"there":[122],"no":[124],"interactive":[125,153],"visualization":[126],"tool":[127,176],"facilitates":[129],"such":[130],"interdisciplinary":[131],"collaborations":[132],"towards":[133],"interpretability":[134,168],"molecules.":[141],"To":[142],"fill":[143],"gap,":[145],"we":[146],"present":[147],"CIME":[148],"(ChemInformatics":[149],"Model":[150],"Explorer),":[151],"web-based":[154],"system":[155],"users":[158],"inspect":[160],"chemical":[161],"sets,":[163],"visualize":[164],"model":[165],"explanations,":[166],"compare":[167],"techniques,":[169],"explore":[171],"subgroups":[172],"compounds.":[174],"model-agnostic":[178],"can":[180],"run":[182],"server":[185],"workstation.":[188]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":12},{"year":2023,"cited_by_count":16},{"year":2022,"cited_by_count":5}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}