{"id":"https://openalex.org/W4413106376","doi":"https://doi.org/10.1007/s10822-025-00644-x","title":"Advanced investigation of the adsorption process of geosmin molecules on polar bear and camel olfactory receptors: statistical physics treatment, in-depth DFT-modeling, and docking analysis","display_name":"Advanced investigation of the adsorption process of geosmin molecules on polar bear and camel olfactory receptors: statistical physics treatment, in-depth DFT-modeling, and docking analysis","publication_year":2025,"publication_date":"2025-08-12","ids":{"openalex":"https://openalex.org/W4413106376","doi":"https://doi.org/10.1007/s10822-025-00644-x","pmid":"https://pubmed.ncbi.nlm.nih.gov/40794146"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-025-00644-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-025-00644-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5020300753","display_name":"Ismahene Ben Khemis","orcid":"https://orcid.org/0000-0003-4936-3390"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Ismahene Ben Khemis","raw_affiliation_strings":["Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019, Monastir, Tunisia. ismaheneph@gmail.com"],"affiliations":[{"raw_affiliation_string":"Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019, Monastir, Tunisia. ismaheneph@gmail.com","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012848265","display_name":"Bouzid Gassoumi","orcid":"https://orcid.org/0000-0002-7913-7768"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bouzid Gassoumi","raw_affiliation_strings":["Laboratory of Advanced Materials and Interfaces (LIMA), Faculty of Sciences of Monastir, Avenue of Environment, University of Monastir, 5000, Monastir, Tunisia. gassoumibouzid2016@gmail.com"],"affiliations":[{"raw_affiliation_string":"Laboratory of Advanced Materials and Interfaces (LIMA), Faculty of Sciences of Monastir, Avenue of Environment, University of Monastir, 5000, Monastir, Tunisia. gassoumibouzid2016@gmail.com","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101965574","display_name":"Fatma Aouaini","orcid":"https://orcid.org/0009-0006-3089-940X"},"institutions":[{"id":"https://openalex.org/I106778892","display_name":"Princess Nourah bint Abdulrahman University","ror":"https://ror.org/05b0cyh02","country_code":"SA","type":"education","lineage":["https://openalex.org/I106778892"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Fatma Aouaini","raw_affiliation_strings":["Department of Physics, College of Sciences, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, 11671, Riyadh, Saudi Arabia"],"affiliations":[{"raw_affiliation_string":"Department of Physics, College of Sciences, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, 11671, Riyadh, Saudi Arabia","institution_ids":["https://openalex.org/I106778892"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088067415","display_name":"Salah Knani","orcid":"https://orcid.org/0000-0001-9617-810X"},"institutions":[{"id":"https://openalex.org/I118590987","display_name":"Northern Border University","ror":"https://ror.org/03j9tzj20","country_code":"SA","type":"education","lineage":["https://openalex.org/I118590987"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Salah Knani","raw_affiliation_strings":["Center for Scientific Research and Entrepreneurship, Northern Border University, 73213, Arar, Saudi Arabia"],"affiliations":[{"raw_affiliation_string":"Center for Scientific Research and Entrepreneurship, Northern Border University, 73213, Arar, Saudi Arabia","institution_ids":["https://openalex.org/I118590987"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106677634","display_name":"Besma Graba","orcid":"https://orcid.org/0009-0002-1021-1525"},"institutions":[{"id":"https://openalex.org/I118590987","display_name":"Northern Border University","ror":"https://ror.org/03j9tzj20","country_code":"SA","type":"education","lineage":["https://openalex.org/I118590987"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Besma Graba","raw_affiliation_strings":["Department of Physics, College of Science, Northern Border University, Arar, Saudi Arabia"],"affiliations":[{"raw_affiliation_string":"Department of Physics, College of Science, Northern Border University, Arar, Saudi Arabia","institution_ids":["https://openalex.org/I118590987"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046315023","display_name":"Ghadeer M. Albadrani","orcid":"https://orcid.org/0000-0001-5657-4650"},"institutions":[{"id":"https://openalex.org/I106778892","display_name":"Princess Nourah bint Abdulrahman University","ror":"https://ror.org/05b0cyh02","country_code":"SA","type":"education","lineage":["https://openalex.org/I106778892"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Ghadeer Mohsen Albadrani","raw_affiliation_strings":["Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, 11671, Riyadh, Saudi Arabia"],"affiliations":[{"raw_affiliation_string":"Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, 11671, Riyadh, Saudi Arabia","institution_ids":["https://openalex.org/I106778892"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049654178","display_name":"Abdelmottaleb Ben Lamine","orcid":"https://orcid.org/0000-0002-8225-8464"},"institutions":[{"id":"https://openalex.org/I166928557","display_name":"University of Monastir","ror":"https://ror.org/00nhtcg76","country_code":"TN","type":"education","lineage":["https://openalex.org/I166928557"]}],"countries":["TN"],"is_corresponding":false,"raw_author_name":"Abdelmottaleb Ben Lamine","raw_affiliation_strings":["Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019, Monastir, Tunisia"],"affiliations":[{"raw_affiliation_string":"Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019, Monastir, Tunisia","institution_ids":["https://openalex.org/I166928557"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5020300753"],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.4398,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.81477198,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"39","issue":"1","first_page":"64","last_page":"64"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10971","display_name":"Olfactory and Sensory Function Studies","score":0.9962000250816345,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10971","display_name":"Olfactory and Sensory Function Studies","score":0.9962000250816345,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"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/T10225","display_name":"Essential Oils and Antimicrobial Activity","score":0.9925000071525574,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10423","display_name":"Neurobiology and Insect Physiology Research","score":0.991100013256073,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/geosmin","display_name":"Geosmin","score":0.8054423332214355},{"id":"https://openalex.org/keywords/adsorption","display_name":"Adsorption","score":0.6776831746101379},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.6159380078315735},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5138745307922363},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.5080878734588623},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.49953413009643555},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.4391579329967499},{"id":"https://openalex.org/keywords/olfactory-receptor","display_name":"Olfactory receptor","score":0.43325984477996826},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.4108036160469055},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4019097089767456},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.3754085898399353},{"id":"https://openalex.org/keywords/odor","display_name":"Odor","score":0.32932770252227783},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.31034135818481445},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.2900448143482208},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.23064008355140686},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.1939029097557068},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.15225601196289062},{"id":"https://openalex.org/keywords/veterinary-medicine","display_name":"Veterinary medicine","score":0.09044346213340759}],"concepts":[{"id":"https://openalex.org/C2777358917","wikidata":"https://www.wikidata.org/wiki/Q420233","display_name":"Geosmin","level":3,"score":0.8054423332214355},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.6776831746101379},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6159380078315735},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5138745307922363},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5080878734588623},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.49953413009643555},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4391579329967499},{"id":"https://openalex.org/C2779980732","wikidata":"https://www.wikidata.org/wiki/Q24774756","display_name":"Olfactory receptor","level":3,"score":0.43325984477996826},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4108036160469055},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4019097089767456},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3754085898399353},{"id":"https://openalex.org/C2778916471","wikidata":"https://www.wikidata.org/wiki/Q485537","display_name":"Odor","level":2,"score":0.32932770252227783},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.31034135818481445},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2900448143482208},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.23064008355140686},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.1939029097557068},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.15225601196289062},{"id":"https://openalex.org/C42972112","wikidata":"https://www.wikidata.org/wiki/Q170201","display_name":"Veterinary medicine","level":1,"score":0.09044346213340759},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000077318","descriptor_name":"Density Functional Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077318","descriptor_name":"Density Functional Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077318","descriptor_name":"Density Functional Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077318","descriptor_name":"Density Functional Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077318","descriptor_name":"Density Functional Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000327","descriptor_name":"Adsorption","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000327","descriptor_name":"Adsorption","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000327","descriptor_name":"Adsorption","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000327","descriptor_name":"Adsorption","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000327","descriptor_name":"Adsorption","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001503","descriptor_name":"Ursidae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001503","descriptor_name":"Ursidae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001503","descriptor_name":"Ursidae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001503","descriptor_name":"Ursidae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002162","descriptor_name":"Camelus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002162","descriptor_name":"Camelus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002162","descriptor_name":"Camelus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002162","descriptor_name":"Camelus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002162","descriptor_name":"Camelus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009284","descriptor_name":"Naphthols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009812","descriptor_name":"Odorants","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009812","descriptor_name":"Odorants","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009812","descriptor_name":"Odorants","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009812","descriptor_name":"Odorants","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009812","descriptor_name":"Odorants","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012903","descriptor_name":"Smell","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":true},{"descriptor_ui":"D012903","descriptor_name":"Smell","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":true},{"descriptor_ui":"D012903","descriptor_name":"Smell","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":true},{"descriptor_ui":"D012903","descriptor_name":"Smell","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-025-00644-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-025-00644-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:40794146","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40794146","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.7599999904632568}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1973416539","https://openalex.org/W2055117609","https://openalex.org/W2058582378","https://openalex.org/W2065886920","https://openalex.org/W2093023242","https://openalex.org/W2095100262","https://openalex.org/W2101760608","https://openalex.org/W2132525235","https://openalex.org/W2149971089","https://openalex.org/W2151661417","https://openalex.org/W2783336783","https://openalex.org/W2887608822","https://openalex.org/W2898994744","https://openalex.org/W2913117290","https://openalex.org/W2923642765","https://openalex.org/W2988998646","https://openalex.org/W3023956702","https://openalex.org/W3028868508","https://openalex.org/W3132109223","https://openalex.org/W3139195020","https://openalex.org/W3163612523","https://openalex.org/W4210752160","https://openalex.org/W4213430975","https://openalex.org/W4223470819","https://openalex.org/W4297470683","https://openalex.org/W4310040001","https://openalex.org/W4361267928","https://openalex.org/W4379057592","https://openalex.org/W4386213833","https://openalex.org/W4389622029","https://openalex.org/W4389966146","https://openalex.org/W4390531925","https://openalex.org/W4390843109","https://openalex.org/W4392872510","https://openalex.org/W4393029375","https://openalex.org/W4396843787","https://openalex.org/W4397291983","https://openalex.org/W4400224240","https://openalex.org/W4401800613","https://openalex.org/W4405146221","https://openalex.org/W4405310309","https://openalex.org/W4407767341","https://openalex.org/W6600414615"],"related_works":["https://openalex.org/W2899867244","https://openalex.org/W2359303326","https://openalex.org/W3023368171","https://openalex.org/W2498176862","https://openalex.org/W2406403306","https://openalex.org/W2346266970","https://openalex.org/W2080913900","https://openalex.org/W2002904847","https://openalex.org/W4236121301","https://openalex.org/W2248946859"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-04-02T15:55:50.835912","created_date":"2025-10-10T00:00:00"}
