{"id":"https://openalex.org/W4411354622","doi":"https://doi.org/10.1021/acs.jcim.5c00940","title":"CAML: Commutative Algebra Machine Learning\u2500A Case Study on Protein\u2013Ligand Binding Affinity Prediction","display_name":"CAML: Commutative Algebra Machine Learning\u2500A Case Study on Protein\u2013Ligand Binding Affinity Prediction","publication_year":2025,"publication_date":"2025-06-16","ids":{"openalex":"https://openalex.org/W4411354622","doi":"https://doi.org/10.1021/acs.jcim.5c00940","pmid":"https://pubmed.ncbi.nlm.nih.gov/40518771"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c00940","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c00940","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.5c00940","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030886016","display_name":"Hongsong Feng","orcid":"https://orcid.org/0000-0001-8039-3059"},"institutions":[{"id":"https://openalex.org/I102149020","display_name":"University of North Carolina at Charlotte","ror":"https://ror.org/04dawnj30","country_code":"US","type":"education","lineage":["https://openalex.org/I102149020"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Hongsong Feng","raw_affiliation_strings":["Department of Mathematics and Statistics","University of North Carolina at Charlotte"],"affiliations":[{"raw_affiliation_string":"Department of Mathematics and Statistics","institution_ids":[]},{"raw_affiliation_string":"University of North Carolina at Charlotte","institution_ids":["https://openalex.org/I102149020"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5093367403","display_name":"Faisal Suwayyid","orcid":"https://orcid.org/0009-0000-6677-893X"},"institutions":[{"id":"https://openalex.org/I134085113","display_name":"King Fahd University of Petroleum and Minerals","ror":"https://ror.org/03yez3163","country_code":"SA","type":"education","lineage":["https://openalex.org/I134085113"]},{"id":"https://openalex.org/I530967","display_name":"Toronto Metropolitan University","ror":"https://ror.org/05g13zd79","country_code":"CA","type":"education","lineage":["https://openalex.org/I530967"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["CA","SA","US"],"is_corresponding":false,"raw_author_name":"Faisal Suwayyid","raw_affiliation_strings":["Department of Mathematics","King Fahd University of Petroleum and Minerals","Michigan State University","Department of Mathematics, King Fahd University of Petroleum and Minerals, Dhahran 31261, KSA"],"affiliations":[{"raw_affiliation_string":"Department of Mathematics","institution_ids":["https://openalex.org/I530967"]},{"raw_affiliation_string":"King Fahd University of Petroleum and Minerals","institution_ids":["https://openalex.org/I134085113"]},{"raw_affiliation_string":"Michigan State University","institution_ids":["https://openalex.org/I87216513"]},{"raw_affiliation_string":"Department of Mathematics, King Fahd University of Petroleum and Minerals, Dhahran 31261, KSA","institution_ids":["https://openalex.org/I134085113"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032878743","display_name":"Mushal Zia","orcid":"https://orcid.org/0000-0002-4583-5437"},"institutions":[{"id":"https://openalex.org/I530967","display_name":"Toronto Metropolitan University","ror":"https://ror.org/05g13zd79","country_code":"CA","type":"education","lineage":["https://openalex.org/I530967"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["CA","US"],"is_corresponding":false,"raw_author_name":"Mushal Zia","raw_affiliation_strings":["Department of Mathematics","Michigan State University"],"affiliations":[{"raw_affiliation_string":"Department of Mathematics","institution_ids":["https://openalex.org/I530967"]},{"raw_affiliation_string":"Michigan State University","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053368625","display_name":"JunJie Wee","orcid":"https://orcid.org/0000-0001-8444-3252"},"institutions":[{"id":"https://openalex.org/I530967","display_name":"Toronto Metropolitan University","ror":"https://ror.org/05g13zd79","country_code":"CA","type":"education","lineage":["https://openalex.org/I530967"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["CA","US"],"is_corresponding":false,"raw_author_name":"JunJie Wee","raw_affiliation_strings":["Department of Mathematics","Michigan State University"],"affiliations":[{"raw_affiliation_string":"Department of Mathematics","institution_ids":["https://openalex.org/I530967"]},{"raw_affiliation_string":"Michigan State University","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054027875","display_name":"Yuta Hozumi","orcid":"https://orcid.org/0000-0003-4674-2379"},"institutions":[{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yuta Hozumi","raw_affiliation_strings":["Department of Physiology","Michigan State University"],"affiliations":[{"raw_affiliation_string":"Department of Physiology","institution_ids":[]},{"raw_affiliation_string":"Michigan State University","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032588260","display_name":"Chun\u2010Long Chen","orcid":"https://orcid.org/0000-0002-5584-824X"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I4210113003","display_name":"Physical Sciences (United States)","ror":"https://ror.org/021qvjc46","country_code":"US","type":"company","lineage":["https://openalex.org/I4210113003"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chun-Long Chen","raw_affiliation_strings":["Pacific Northwest National Laboratory","Physical Sciences Division"],"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"Physical Sciences Division","institution_ids":["https://openalex.org/I4210113003"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038778212","display_name":"Guo\u2010Wei Wei","orcid":"https://orcid.org/0000-0002-5781-2937"},"institutions":[{"id":"https://openalex.org/I530967","display_name":"Toronto Metropolitan University","ror":"https://ror.org/05g13zd79","country_code":"CA","type":"education","lineage":["https://openalex.org/I530967"]},{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["CA","US"],"is_corresponding":true,"raw_author_name":"Guo-Wei Wei","raw_affiliation_strings":["Department of Biochemistry and Molecular Biology","Department of Electrical and Computer Engineering","Department of Mathematics","Michigan State University"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology","institution_ids":[]},{"raw_affiliation_string":"Department of Electrical and Computer Engineering","institution_ids":[]},{"raw_affiliation_string":"Department of Mathematics","institution_ids":["https://openalex.org/I530967"]},{"raw_affiliation_string":"Michigan State University","institution_ids":["https://openalex.org/I87216513"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5038778212"],"corresponding_institution_ids":["https://openalex.org/I530967","https://openalex.org/I87216513"],"apc_list":null,"apc_paid":null,"fwci":9.0501,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.97915813,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"65","issue":"13","first_page":"6732","last_page":"6743"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9991999864578247,"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":0.9991999864578247,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9847000241279602,"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"}},{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.98089998960495,"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/ligand","display_name":"Ligand (biochemistry)","score":0.6208826899528503},{"id":"https://openalex.org/keywords/commutative-property","display_name":"Commutative property","score":0.6004754900932312},{"id":"https://openalex.org/keywords/algebra-over-a-field","display_name":"Algebra over a field","score":0.488636314868927},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.444046288728714},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.40087008476257324},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.33729541301727295},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.329105943441391},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.21532770991325378},{"id":"https://openalex.org/keywords/discrete-mathematics","display_name":"Discrete mathematics","score":0.20231926441192627},{"id":"https://openalex.org/keywords/pure-mathematics","display_name":"Pure mathematics","score":0.19726073741912842}],"concepts":[{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.6208826899528503},{"id":"https://openalex.org/C183778304","wikidata":"https://www.wikidata.org/wiki/Q165474","display_name":"Commutative property","level":2,"score":0.6004754900932312},{"id":"https://openalex.org/C136119220","wikidata":"https://www.wikidata.org/wiki/Q1000660","display_name":"Algebra over a field","level":2,"score":0.488636314868927},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.444046288728714},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.40087008476257324},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.33729541301727295},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.329105943441391},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.21532770991325378},{"id":"https://openalex.org/C118615104","wikidata":"https://www.wikidata.org/wiki/Q121416","display_name":"Discrete mathematics","level":1,"score":0.20231926441192627},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.19726073741912842},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"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":"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":"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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5c00940","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c00940","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:40518771","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40518771","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:12264937","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12264937","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.5c00940","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c00940","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1099632683","display_name":null,"funder_award_id":"R01AI164266","funder_id":"https://openalex.org/F4320337376","funder_display_name":"NIH Clinical Center"},{"id":"https://openalex.org/G3265316475","display_name":null,"funder_award_id":"CB11141","funder_id":"https://openalex.org/F4320332186","funder_display_name":"Defense Threat Reduction Agency"},{"id":"https://openalex.org/G402711812","display_name":null,"funder_award_id":"FWP 80124","funder_id":"https://openalex.org/F4320338354","funder_display_name":"Pacific Northwest National Laboratory"},{"id":"https://openalex.org/G6065440738","display_name":null,"funder_award_id":"65109","funder_id":"https://openalex.org/F4320307115","funder_display_name":"Bristol-Myers Squibb"},{"id":"https://openalex.org/G6250166493","display_name":null,"funder_award_id":"R35GM148196","funder_id":"https://openalex.org/F4320337376","funder_display_name":"NIH Clinical Center"},{"id":"https://openalex.org/G937935081","display_name":null,"funder_award_id":"DMS-2052983","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320307115","display_name":"Bristol-Myers Squibb","ror":"https://ror.org/00gtmwv55"},{"id":"https://openalex.org/F4320316470","display_name":"Michigan State University Foundation","ror":"https://ror.org/04njz3m02"},{"id":"https://openalex.org/F4320322323","display_name":"King Fahd University of Petroleum and Minerals","ror":"https://ror.org/03yez3163"},{"id":"https://openalex.org/F4320332186","display_name":"Defense Threat Reduction Agency","ror":"https://ror.org/04tz64554"},{"id":"https://openalex.org/F4320337376","display_name":"NIH Clinical Center","ror":"https://ror.org/04vfsmv21"},{"id":"https://openalex.org/F4320338354","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":56,"referenced_works":["https://openalex.org/W141925688","https://openalex.org/W1495410784","https://openalex.org/W1515761639","https://openalex.org/W1519801683","https://openalex.org/W1977775383","https://openalex.org/W1986240377","https://openalex.org/W1993285168","https://openalex.org/W2064186839","https://openalex.org/W2084168858","https://openalex.org/W2112411768","https://openalex.org/W2114162221","https://openalex.org/W2144044408","https://openalex.org/W2148512505","https://openalex.org/W2154670681","https://openalex.org/W2313042065","https://openalex.org/W2550887636","https://openalex.org/W2578119541","https://openalex.org/W2741292700","https://openalex.org/W2767581071","https://openalex.org/W2801991413","https://openalex.org/W2806834952","https://openalex.org/W2911947907","https://openalex.org/W2912171584","https://openalex.org/W2963833291","https://openalex.org/W2963883198","https://openalex.org/W2971801381","https://openalex.org/W2984249386","https://openalex.org/W3001282080","https://openalex.org/W3021453944","https://openalex.org/W3033534833","https://openalex.org/W3039948875","https://openalex.org/W3146944767","https://openalex.org/W3157078379","https://openalex.org/W3177828909","https://openalex.org/W3186179742","https://openalex.org/W3188589934","https://openalex.org/W4200074081","https://openalex.org/W4224230705","https://openalex.org/W4233690291","https://openalex.org/W4289518623","https://openalex.org/W4316669456","https://openalex.org/W4320006268","https://openalex.org/W4327550249","https://openalex.org/W4366983540","https://openalex.org/W4377094475","https://openalex.org/W4380739447","https://openalex.org/W4382516982","https://openalex.org/W4391256965","https://openalex.org/W4391889225","https://openalex.org/W4393397025","https://openalex.org/W4399893452","https://openalex.org/W4406213667","https://openalex.org/W4407682682","https://openalex.org/W4408461854","https://openalex.org/W4409281560","https://openalex.org/W4409666631"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W1979597421","https://openalex.org/W2007980826","https://openalex.org/W2061531152","https://openalex.org/W3002753104","https://openalex.org/W2077600819","https://openalex.org/W2142036596","https://openalex.org/W2072657027","https://openalex.org/W2962838298","https://openalex.org/W2600246793"],"abstract_inverted_index":{"Recently,":[0],"Suwayyid":[1],"and":[2,14,54,69],"Wei":[3],"introduced":[4],"commutative":[5,22,45,64,67,70,107],"algebra":[6,23,71,108],"as":[7],"an":[8],"emerging":[9],"paradigm":[10],"for":[11,27],"machine":[12,24],"learning":[13,25],"data":[15,80],"science.":[16],"In":[17],"this":[18],"work,":[19],"we":[20,35],"propose":[21],"(CAML)":[26],"the":[28,48,77,89,103],"prediction":[29],"of":[30,51,79,106],"protein-ligand":[31,52,84,98],"binding":[32,53,99],"affinities.":[33],"Specifically,":[34],"apply":[36],"persistent":[37],"Stanley-Reisner":[38],"theory,":[39],"a":[40],"key":[41],"concept":[42],"in":[43,82,96],"combinatorial":[44],"algebra,":[46,65,68],"to":[47,75],"affinity":[49,100],"predictions":[50],"metalloprotein-ligand":[55],"binding.":[56],"We":[57,86],"present":[58],"three":[59],"new":[60],"algorithms,":[61],"i.e.,":[62],"element-specific":[63],"category-specific":[66],"on":[72],"bipartite":[73],"complexes,":[74],"tackle":[76],"complexity":[78],"involved":[81],"(metallo)":[83,97],"complexes.":[85],"show":[87],"that":[88],"proposed":[90],"CAML":[91],"outperforms":[92],"other":[93],"state-of-the-art":[94],"methods":[95],"predictions,":[101],"indicating":[102],"great":[104],"potential":[105],"learning.":[109]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":5}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}