{"id":"https://openalex.org/W4405596261","doi":"https://doi.org/10.1093/bioinformatics/btae749","title":"Ligand identification in CryoEM and X-ray maps using deep learning","display_name":"Ligand identification in CryoEM and X-ray maps using deep learning","publication_year":2024,"publication_date":"2024-12-17","ids":{"openalex":"https://openalex.org/W4405596261","doi":"https://doi.org/10.1093/bioinformatics/btae749","pmid":"https://pubmed.ncbi.nlm.nih.gov/39700427"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btae749","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btae749","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae749/61238985/btae749.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae749/61238985/btae749.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5099010581","display_name":"Jacek Karolczak","orcid":"https://orcid.org/0000-0001-5414-960X"},"institutions":[{"id":"https://openalex.org/I46597724","display_name":"Pozna\u0144 University of Technology","ror":"https://ror.org/00p7p3302","country_code":"PL","type":"education","lineage":["https://openalex.org/I46597724"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Jacek Karolczak","raw_affiliation_strings":["Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","institution_ids":["https://openalex.org/I46597724"]},{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland","institution_ids":["https://openalex.org/I46597724"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106776899","display_name":"Anna Przyby\u0142owska","orcid":"https://orcid.org/0009-0007-1773-996X"},"institutions":[{"id":"https://openalex.org/I46597724","display_name":"Pozna\u0144 University of Technology","ror":"https://ror.org/00p7p3302","country_code":"PL","type":"education","lineage":["https://openalex.org/I46597724"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Anna Przyby\u0142owska","raw_affiliation_strings":["Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","institution_ids":["https://openalex.org/I46597724"]},{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland","institution_ids":["https://openalex.org/I46597724"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106801240","display_name":"Konrad Szewczyk","orcid":"https://orcid.org/0000-0002-2432-7978"},"institutions":[{"id":"https://openalex.org/I46597724","display_name":"Pozna\u0144 University of Technology","ror":"https://ror.org/00p7p3302","country_code":"PL","type":"education","lineage":["https://openalex.org/I46597724"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Konrad Szewczyk","raw_affiliation_strings":["Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","institution_ids":["https://openalex.org/I46597724"]},{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland","institution_ids":["https://openalex.org/I46597724"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106801241","display_name":"Witold Taisner","orcid":"https://orcid.org/0009-0001-4752-9476"},"institutions":[{"id":"https://openalex.org/I46597724","display_name":"Pozna\u0144 University of Technology","ror":"https://ror.org/00p7p3302","country_code":"PL","type":"education","lineage":["https://openalex.org/I46597724"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Witold Taisner","raw_affiliation_strings":["Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","institution_ids":["https://openalex.org/I46597724"]},{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland","institution_ids":["https://openalex.org/I46597724"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001914612","display_name":"John M. Heumann","orcid":"https://orcid.org/0000-0001-6751-3028"},"institutions":[{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"John M Heumann","raw_affiliation_strings":["Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder , Boulder, CO 80309,","Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder, Boulder, CO 80309, United States"],"affiliations":[{"raw_affiliation_string":"Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder , Boulder, CO 80309,","institution_ids":["https://openalex.org/I188538660"]},{"raw_affiliation_string":"Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder, Boulder, CO 80309, United States","institution_ids":["https://openalex.org/I188538660"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017196184","display_name":"Michael H. B. Stowell","orcid":"https://orcid.org/0000-0001-7250-1419"},"institutions":[{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael H B Stowell","raw_affiliation_strings":["Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder , Boulder, CO 80309,","Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder, Boulder, CO 80309, United States"],"affiliations":[{"raw_affiliation_string":"Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder , Boulder, CO 80309,","institution_ids":["https://openalex.org/I188538660"]},{"raw_affiliation_string":"Department of Molecular, Cellular and Developmental Biology, University of Colorado Boulder, Boulder, CO 80309, United States","institution_ids":["https://openalex.org/I188538660"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083702234","display_name":"Micha\u0142 Nowicki","orcid":"https://orcid.org/0000-0002-2299-9025"},"institutions":[{"id":"https://openalex.org/I46597724","display_name":"Pozna\u0144 University of Technology","ror":"https://ror.org/00p7p3302","country_code":"PL","type":"education","lineage":["https://openalex.org/I46597724"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Micha\u0142 Nowicki","raw_affiliation_strings":["Institute of Robotics and Machine Intelligence, Poznan University of Technology , Poznan 60-965,","Institute of Robotics and Machine Intelligence, Poznan University of Technology, Poznan, 60-965, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Robotics and Machine Intelligence, Poznan University of Technology , Poznan 60-965,","institution_ids":["https://openalex.org/I46597724"]},{"raw_affiliation_string":"Institute of Robotics and Machine Intelligence, Poznan University of Technology, Poznan, 60-965, Poland","institution_ids":["https://openalex.org/I46597724"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060327349","display_name":"Dariusz Brzezi\u0144ski","orcid":"https://orcid.org/0000-0001-9723-525X"},"institutions":[{"id":"https://openalex.org/I46597724","display_name":"Pozna\u0144 University of Technology","ror":"https://ror.org/00p7p3302","country_code":"PL","type":"education","lineage":["https://openalex.org/I46597724"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Dariusz Brzezinski","raw_affiliation_strings":["Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology , Poznan 60-965,","institution_ids":["https://openalex.org/I46597724"]},{"raw_affiliation_string":"Institute of Computing Science, Poznan University of Technology, Poznan, 60-965, Poland","institution_ids":["https://openalex.org/I46597724"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5099010581"],"corresponding_institution_ids":["https://openalex.org/I46597724"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":0.6924,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.70973994,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"41","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9993000030517578,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9993000030517578,"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/T10857","display_name":"Advanced Electron Microscopy Techniques and Applications","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural 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"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9933000206947327,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7132449746131897},{"id":"https://openalex.org/keywords/source-code","display_name":"Source code","score":0.6172017455101013},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.6069269180297852},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5540331602096558},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.5286065936088562},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.49664098024368286},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.4706294536590576},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.41966283321380615},{"id":"https://openalex.org/keywords/cryo-electron-microscopy","display_name":"Cryo-electron microscopy","score":0.413545161485672},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.36516523361206055},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.3518249988555908},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.16327831149101257},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.12562933564186096},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.08663567900657654},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.08352005481719971}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7132449746131897},{"id":"https://openalex.org/C43126263","wikidata":"https://www.wikidata.org/wiki/Q128751","display_name":"Source code","level":2,"score":0.6172017455101013},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.6069269180297852},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5540331602096558},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.5286065936088562},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.49664098024368286},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.4706294536590576},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.41966283321380615},{"id":"https://openalex.org/C20702342","wikidata":"https://www.wikidata.org/wiki/Q5190506","display_name":"Cryo-electron microscopy","level":2,"score":0.413545161485672},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.36516523361206055},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.3518249988555908},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.16327831149101257},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.12562933564186096},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.08663567900657654},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.08352005481719971},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/btae749","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btae749","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae749/61238985/btae749.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:39700427","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39700427","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":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:11709248","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11709248","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11709248/pdf/btae749.pdf","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btae749","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btae749","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btae749/61238985/btae749.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G132196069","display_name":null,"funder_award_id":"NS120496","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G1361294012","display_name":null,"funder_award_id":"U24-GM139174","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G4397313336","display_name":null,"funder_award_id":"AG061829","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332538","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4405596261.pdf","grobid_xml":"https://content.openalex.org/works/W4405596261.grobid-xml"},"referenced_works_count":61,"referenced_works":["https://openalex.org/W138678432","https://openalex.org/W608314793","https://openalex.org/W1994052145","https://openalex.org/W2003056779","https://openalex.org/W2010622172","https://openalex.org/W2054263998","https://openalex.org/W2125827983","https://openalex.org/W2130479394","https://openalex.org/W2136553340","https://openalex.org/W2144450046","https://openalex.org/W2152562710","https://openalex.org/W2168909913","https://openalex.org/W2560609797","https://openalex.org/W2604418577","https://openalex.org/W2619913326","https://openalex.org/W2767560817","https://openalex.org/W2790159834","https://openalex.org/W2791670278","https://openalex.org/W2793402357","https://openalex.org/W2884090556","https://openalex.org/W2884376935","https://openalex.org/W2948439377","https://openalex.org/W2951861569","https://openalex.org/W2952566602","https://openalex.org/W2963121255","https://openalex.org/W2964213081","https://openalex.org/W2965703627","https://openalex.org/W2973457155","https://openalex.org/W2982319484","https://openalex.org/W3005016287","https://openalex.org/W3034312851","https://openalex.org/W3103292928","https://openalex.org/W3120082156","https://openalex.org/W3132312678","https://openalex.org/W3157649867","https://openalex.org/W3165884074","https://openalex.org/W3177828909","https://openalex.org/W3182578287","https://openalex.org/W3182767159","https://openalex.org/W3186179742","https://openalex.org/W4200631299","https://openalex.org/W4220677593","https://openalex.org/W4220933043","https://openalex.org/W4245055982","https://openalex.org/W4287177477","https://openalex.org/W4292262757","https://openalex.org/W4296060337","https://openalex.org/W4300614726","https://openalex.org/W4310612226","https://openalex.org/W4313148639","https://openalex.org/W4322733414","https://openalex.org/W4376663831","https://openalex.org/W4379207267","https://openalex.org/W4383302431","https://openalex.org/W4387867153","https://openalex.org/W4388934329","https://openalex.org/W4390670960","https://openalex.org/W4392136306","https://openalex.org/W4392155415","https://openalex.org/W4392157400","https://openalex.org/W4400007706"],"related_works":["https://openalex.org/W4375867731","https://openalex.org/W1988881631","https://openalex.org/W4312462505","https://openalex.org/W1838872057","https://openalex.org/W2611989081","https://openalex.org/W2277205612","https://openalex.org/W2731899572","https://openalex.org/W2070226837","https://openalex.org/W4230611425","https://openalex.org/W4294635752"],"abstract_inverted_index":{"Code":[0],"and":[1],"model":[2],"weights":[3],"are":[4],"available":[5,15],"on":[6],"GitHub":[7],"at":[8,16],"https://github.com/jkarolczak/ligands-classification.":[9],"An":[10],"accompanying":[11],"ChimeraX":[12],"bundle":[13],"is":[14],"https://github.com/wtaisner/chimerax-ligand-recognizer.":[17]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4}],"updated_date":"2026-04-11T08:14:18.477133","created_date":"2025-10-10T00:00:00"}