{"id":"https://openalex.org/W4415243866","doi":"https://doi.org/10.1016/j.compbiomed.2025.111183","title":"Explaining blood-brain barrier permeability by synergistic effect on molecular substructures","display_name":"Explaining blood-brain barrier permeability by synergistic effect on molecular substructures","publication_year":2025,"publication_date":"2025-10-13","ids":{"openalex":"https://openalex.org/W4415243866","doi":"https://doi.org/10.1016/j.compbiomed.2025.111183","pmid":"https://pubmed.ncbi.nlm.nih.gov/41086751"},"language":"en","primary_location":{"id":"doi:10.1016/j.compbiomed.2025.111183","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiomed.2025.111183","pdf_url":null,"source":{"id":"https://openalex.org/S44278595","display_name":"Computers in Biology and Medicine","issn_l":"0010-4825","issn":["0010-4825","1879-0534"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in Biology and Medicine","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/A5056090668","display_name":"Hyeok Jae Lee","orcid":null},"institutions":[{"id":"https://openalex.org/I39534123","display_name":"Gwangju Institute of Science and Technology","ror":"https://ror.org/024kbgz78","country_code":"KR","type":"education","lineage":["https://openalex.org/I39534123"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Hyeok Jae Lee","raw_affiliation_strings":["Department of Chemistry, Gwangju Institute of Science and Technology (GIST), Gwangju, 61005, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Gwangju Institute of Science and Technology (GIST), Gwangju, 61005, Republic of Korea","institution_ids":["https://openalex.org/I39534123"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Ikhyeong Jun","orcid":"https://orcid.org/0009-0002-0274-9632"},"institutions":[{"id":"https://openalex.org/I39534123","display_name":"Gwangju Institute of Science and Technology","ror":"https://ror.org/024kbgz78","country_code":"KR","type":"education","lineage":["https://openalex.org/I39534123"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Ikhyeong Jun","raw_affiliation_strings":["Department of Chemistry, Gwangju Institute of Science and Technology (GIST), Gwangju, 61005, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Gwangju Institute of Science and Technology (GIST), Gwangju, 61005, Republic of Korea","institution_ids":["https://openalex.org/I39534123"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100330194","display_name":"Hyun Woo Kim","orcid":"https://orcid.org/0000-0002-2472-2046"},"institutions":[{"id":"https://openalex.org/I39534123","display_name":"Gwangju Institute of Science and Technology","ror":"https://ror.org/024kbgz78","country_code":"KR","type":"education","lineage":["https://openalex.org/I39534123"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Hyun Woo Kim","raw_affiliation_strings":["Department of Chemistry, Gwangju Institute of Science and Technology (GIST), Gwangju, 61005, Republic of Korea; Center for Quantum Technology, Korea Institute of Science and Technology (KIST), Seoul, 02792, Republic of Korea. Electronic address: hwk@gist.ac.kr"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Gwangju Institute of Science and Technology (GIST), Gwangju, 61005, Republic of Korea; Center for Quantum Technology, Korea Institute of Science and Technology (KIST), Seoul, 02792, Republic of Korea. Electronic address: hwk@gist.ac.kr","institution_ids":["https://openalex.org/I39534123"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5100330194"],"corresponding_institution_ids":["https://openalex.org/I39534123"],"apc_list":{"value":2610,"currency":"USD","value_usd":2610},"apc_paid":null,"fwci":0.9907,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.82400041,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":98},"biblio":{"volume":"198","issue":"Pt A","first_page":"111183","last_page":"111183"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.7838000059127808,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.7838000059127808,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T11872","display_name":"Barrier Structure and Function Studies","score":0.7106999754905701,"subfield":{"id":"https://openalex.org/subfields/2808","display_name":"Neurology"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10915","display_name":"Trace Elements in Health","score":0.6565999984741211,"subfield":{"id":"https://openalex.org/subfields/2916","display_name":"Nutrition and Dietetics"},"field":{"id":"https://openalex.org/fields/29","display_name":"Nursing"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/permeability","display_name":"Permeability (electromagnetism)","score":0.557699978351593},{"id":"https://openalex.org/keywords/relative-permeability","display_name":"Relative permeability","score":0.45890000462532043},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.383899986743927},{"id":"https://openalex.org/keywords/blood\u2013brain-barrier","display_name":"Blood\u2013brain barrier","score":0.36570000648498535},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.3594000041484833},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.2939000129699707}],"concepts":[{"id":"https://openalex.org/C120882062","wikidata":"https://www.wikidata.org/wiki/Q28352","display_name":"Permeability (electromagnetism)","level":3,"score":0.557699978351593},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4968999922275543},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4959000051021576},{"id":"https://openalex.org/C113378726","wikidata":"https://www.wikidata.org/wiki/Q7310797","display_name":"Relative permeability","level":3,"score":0.45890000462532043},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45809999108314514},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.383899986743927},{"id":"https://openalex.org/C2778402981","wikidata":"https://www.wikidata.org/wiki/Q221694","display_name":"Blood\u2013brain barrier","level":3,"score":0.36570000648498535},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.3594000041484833},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.32170000672340393},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.2939000129699707},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.29010000824928284},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.28769999742507935},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2874000072479248},{"id":"https://openalex.org/C187191949","wikidata":"https://www.wikidata.org/wiki/Q1138496","display_name":"Profiling (computer programming)","level":2,"score":0.2818000018596649},{"id":"https://openalex.org/C2994297994","wikidata":"https://www.wikidata.org/wiki/Q866317","display_name":"Cell permeability","level":2,"score":0.26930001378059387},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.26089999079704285},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.2596000134944916},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2538999915122986},{"id":"https://openalex.org/C110121322","wikidata":"https://www.wikidata.org/wiki/Q865811","display_name":"Distribution (mathematics)","level":2,"score":0.25369998812675476}],"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":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001812","descriptor_name":"Blood-Brain Barrier","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D001812","descriptor_name":"Blood-Brain Barrier","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010539","descriptor_name":"Permeability","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010539","descriptor_name":"Permeability","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.compbiomed.2025.111183","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiomed.2025.111183","pdf_url":null,"source":{"id":"https://openalex.org/S44278595","display_name":"Computers in Biology and Medicine","issn_l":"0010-4825","issn":["0010-4825","1879-0534"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in Biology and Medicine","raw_type":"journal-article"},{"id":"pmid:41086751","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41086751","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":"Computers in biology and medicine","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1411720474","display_name":null,"funder_award_id":"RS-2024-00411137","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"}],"funders":[{"id":"https://openalex.org/F4320322120","display_name":"National Research Foundation of Korea","ror":"https://ror.org/013aysd81"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W1591261915","https://openalex.org/W1777073001","https://openalex.org/W2005518172","https://openalex.org/W2008056655","https://openalex.org/W2022476850","https://openalex.org/W2029593282","https://openalex.org/W2032865438","https://openalex.org/W2040972896","https://openalex.org/W2044834685","https://openalex.org/W2077964105","https://openalex.org/W2107686700","https://openalex.org/W2132791018","https://openalex.org/W2136922672","https://openalex.org/W2148143831","https://openalex.org/W2171639300","https://openalex.org/W2189911347","https://openalex.org/W2200017991","https://openalex.org/W2313874339","https://openalex.org/W2406943157","https://openalex.org/W2415632916","https://openalex.org/W2594183968","https://openalex.org/W2766296277","https://openalex.org/W2791355014","https://openalex.org/W2791713605","https://openalex.org/W2887113605","https://openalex.org/W2900090807","https://openalex.org/W2904606563","https://openalex.org/W2911964244","https://openalex.org/W2962772482","https://openalex.org/W2968734407","https://openalex.org/W2984992514","https://openalex.org/W2999177618","https://openalex.org/W3048163099","https://openalex.org/W3088615466","https://openalex.org/W3089517581","https://openalex.org/W3094492244","https://openalex.org/W3095522316","https://openalex.org/W3097145107","https://openalex.org/W3110901318","https://openalex.org/W3135324979","https://openalex.org/W3154492312","https://openalex.org/W3165037864","https://openalex.org/W3200607218","https://openalex.org/W3208039415","https://openalex.org/W4200146763","https://openalex.org/W4225311751","https://openalex.org/W4306943619","https://openalex.org/W4310273071","https://openalex.org/W4311584330","https://openalex.org/W4367317657","https://openalex.org/W4377223843","https://openalex.org/W4378217890","https://openalex.org/W4387336228","https://openalex.org/W4389990691","https://openalex.org/W4390221451","https://openalex.org/W4390338971","https://openalex.org/W4399569851","https://openalex.org/W4400831251","https://openalex.org/W4401811473","https://openalex.org/W4404505813"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-04-09T08:11:56.329763","created_date":"2025-10-16T00:00:00"}