{"id":"https://openalex.org/W3196625221","doi":"https://doi.org/10.1186/s13321-021-00545-9","title":"2D SIFt: a matrix of ligand-receptor interactions","display_name":"2D SIFt: a matrix of ligand-receptor interactions","publication_year":2021,"publication_date":"2021-09-08","ids":{"openalex":"https://openalex.org/W3196625221","doi":"https://doi.org/10.1186/s13321-021-00545-9","mag":"3196625221","pmid":"https://pubmed.ncbi.nlm.nih.gov/34496955"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-021-00545-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-021-00545-9","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00545-9","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00545-9","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5072327557","display_name":"Stefan Mordalski","orcid":"https://orcid.org/0000-0003-4089-6369"},"institutions":[{"id":"https://openalex.org/I4210120768","display_name":"Maj Institute of Pharmacology","ror":"https://ror.org/0288swk05","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210120768","https://openalex.org/I99542240"]},{"id":"https://openalex.org/I99542240","display_name":"Polish Academy of Sciences","ror":"https://ror.org/01dr6c206","country_code":"PL","type":"government","lineage":["https://openalex.org/I99542240"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Stefan Mordalski","raw_affiliation_strings":["Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland. stefanm@if-pan.krakow.pl","Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland"],"raw_orcid":"https://orcid.org/0000-0003-4089-6369","affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland. stefanm@if-pan.krakow.pl","institution_ids":["https://openalex.org/I4210120768"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland","institution_ids":["https://openalex.org/I4210120768","https://openalex.org/I99542240"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080267354","display_name":"Agnieszka Wojtuch","orcid":"https://orcid.org/0000-0002-3112-2049"},"institutions":[{"id":"https://openalex.org/I126596746","display_name":"Jagiellonian University","ror":"https://ror.org/03bqmcz70","country_code":"PL","type":"education","lineage":["https://openalex.org/I126596746"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Agnieszka Wojtuch","raw_affiliation_strings":["Faculty of Mathematics and Computer Science, Jagiellonian University, Krakow, Poland"],"raw_orcid":"https://orcid.org/0000-0002-3112-2049","affiliations":[{"raw_affiliation_string":"Faculty of Mathematics and Computer Science, Jagiellonian University, Krakow, Poland","institution_ids":["https://openalex.org/I126596746"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007095435","display_name":"Igor T. Podolak","orcid":"https://orcid.org/0000-0001-9082-6735"},"institutions":[{"id":"https://openalex.org/I126596746","display_name":"Jagiellonian University","ror":"https://ror.org/03bqmcz70","country_code":"PL","type":"education","lineage":["https://openalex.org/I126596746"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Igor Podolak","raw_affiliation_strings":["Faculty of Mathematics and Computer Science, Jagiellonian University, Krakow, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Mathematics and Computer Science, Jagiellonian University, Krakow, Poland","institution_ids":["https://openalex.org/I126596746"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060640473","display_name":"Rafa\u0142 Kurczab","orcid":"https://orcid.org/0000-0002-9555-3905"},"institutions":[{"id":"https://openalex.org/I4210120768","display_name":"Maj Institute of Pharmacology","ror":"https://ror.org/0288swk05","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210120768","https://openalex.org/I99542240"]},{"id":"https://openalex.org/I99542240","display_name":"Polish Academy of Sciences","ror":"https://ror.org/01dr6c206","country_code":"PL","type":"government","lineage":["https://openalex.org/I99542240"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Rafa\u0142 Kurczab","raw_affiliation_strings":["Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland","institution_ids":["https://openalex.org/I4210120768","https://openalex.org/I99542240"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025399512","display_name":"Andrzej J. Bojarski","orcid":"https://orcid.org/0000-0003-1417-6333"},"institutions":[{"id":"https://openalex.org/I4210120768","display_name":"Maj Institute of Pharmacology","ror":"https://ror.org/0288swk05","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210120768","https://openalex.org/I99542240"]},{"id":"https://openalex.org/I99542240","display_name":"Polish Academy of Sciences","ror":"https://ror.org/01dr6c206","country_code":"PL","type":"government","lineage":["https://openalex.org/I99542240"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Andrzej J. Bojarski","raw_affiliation_strings":["Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland","institution_ids":["https://openalex.org/I4210120768","https://openalex.org/I99542240"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5072327557"],"corresponding_institution_ids":["https://openalex.org/I4210120768","https://openalex.org/I99542240"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.16244389,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"13","issue":"1","first_page":"66","last_page":"66"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"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":0.9993000030517578,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9991000294685364,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9947999715805054,"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/computer-science","display_name":"Computer science","score":0.7603628039360046},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.7005338072776794},{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.6848671436309814},{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.6698659062385559},{"id":"https://openalex.org/keywords/scale-invariant-feature-transform","display_name":"Scale-invariant feature transform","score":0.5274988412857056},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5074986815452576},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.38649702072143555},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3316293954849243},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.28614529967308044},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2337559163570404},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.11557674407958984},{"id":"https://openalex.org/keywords/image","display_name":"Image (mathematics)","score":0.09185686707496643},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.09013363718986511}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7603628039360046},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.7005338072776794},{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.6848671436309814},{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.6698659062385559},{"id":"https://openalex.org/C61265191","wikidata":"https://www.wikidata.org/wiki/Q767770","display_name":"Scale-invariant feature transform","level":3,"score":0.5274988412857056},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5074986815452576},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.38649702072143555},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3316293954849243},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.28614529967308044},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2337559163570404},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.11557674407958984},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.09185686707496643},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.09013363718986511}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-021-00545-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-021-00545-9","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00545-9","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:34496955","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34496955","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of cheminformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:b9e01b0333ff4fe3b62f6ff41fd5c169","is_oa":false,"landing_page_url":"https://doaj.org/article/b9e01b0333ff4fe3b62f6ff41fd5c169","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-8 (2021)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:8424890","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8424890","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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 Cheminform","raw_type":"Text"},{"id":"pmh:oai:ruj.uj.edu.pl:item/284533","is_oa":true,"landing_page_url":"https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00545-9","pdf_url":null,"source":{"id":"https://openalex.org/S4306400316","display_name":"Homo Politicus (Academy of Humanities and Economics in Lodz)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"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":null,"raw_type":"artyku\u0142 w czasopi\u015bmie"}],"best_oa_location":{"id":"doi:10.1186/s13321-021-00545-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-021-00545-9","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-021-00545-9","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/4","score":0.8799999952316284,"display_name":"Quality Education"}],"awards":[{"id":"https://openalex.org/G6649387699","display_name":null,"funder_award_id":"/2018","funder_id":"https://openalex.org/F4320335039","funder_display_name":"Narodowe Centrum Bada\u0144 i Rozwoju"},{"id":"https://openalex.org/G766048184","display_name":null,"funder_award_id":"2014/12/T/NZ2/00529","funder_id":"https://openalex.org/F4320322511","funder_display_name":"Narodowe Centrum Nauki"},{"id":"https://openalex.org/G7947123138","display_name":null,"funder_award_id":"LIDER/37/0137/L-9/17/NCBR/2018","funder_id":"https://openalex.org/F4320335039","funder_display_name":"Narodowe Centrum Bada\u0144 i Rozwoju"},{"id":"https://openalex.org/G8068143317","display_name":null,"funder_award_id":"Pol-Nor/198887/73/2013","funder_id":"https://openalex.org/F4320335039","funder_display_name":"Narodowe Centrum Bada\u0144 i Rozwoju"}],"funders":[{"id":"https://openalex.org/F4320322511","display_name":"Narodowe Centrum Nauki","ror":"https://ror.org/03ha2q922"},{"id":"https://openalex.org/F4320335039","display_name":"Narodowe Centrum Bada\u0144 i Rozwoju","ror":"https://ror.org/05pwfyy15"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3196625221.pdf","grobid_xml":"https://content.openalex.org/works/W3196625221.grobid-xml"},"referenced_works_count":39,"referenced_works":["https://openalex.org/W1833104430","https://openalex.org/W1968682237","https://openalex.org/W1970613671","https://openalex.org/W1978732445","https://openalex.org/W1979166300","https://openalex.org/W1980969309","https://openalex.org/W1988821183","https://openalex.org/W1991118597","https://openalex.org/W1991503277","https://openalex.org/W2003364609","https://openalex.org/W2003620627","https://openalex.org/W2021580832","https://openalex.org/W2023525094","https://openalex.org/W2026501736","https://openalex.org/W2030121478","https://openalex.org/W2041877730","https://openalex.org/W2044618021","https://openalex.org/W2053961352","https://openalex.org/W2060874643","https://openalex.org/W2066666235","https://openalex.org/W2070384060","https://openalex.org/W2073110681","https://openalex.org/W2078719550","https://openalex.org/W2088423689","https://openalex.org/W2093291243","https://openalex.org/W2104477830","https://openalex.org/W2117908343","https://openalex.org/W2120255849","https://openalex.org/W2139362074","https://openalex.org/W2143482176","https://openalex.org/W2145928638","https://openalex.org/W2168045053","https://openalex.org/W2168966210","https://openalex.org/W2208203352","https://openalex.org/W2225513621","https://openalex.org/W2410846838","https://openalex.org/W3081574977","https://openalex.org/W3109549311","https://openalex.org/W3165548596"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2061401330","https://openalex.org/W2055137136","https://openalex.org/W3041915240","https://openalex.org/W2077097504","https://openalex.org/W2586171341","https://openalex.org/W2167386965","https://openalex.org/W1580389218"],"abstract_inverted_index":{"Depicting":[0],"a":[1,13,53,63,87,89],"ligand-receptor":[2],"complex":[3],"via":[4,132],"Interaction":[5,60],"Fingerprints":[6,61],"has":[7],"been":[8],"shown":[9],"to":[10,40,97],"be":[11],"both":[12],"viable":[14],"data":[15],"visualization":[16,29],"and":[17,47,65,73,99,110,114],"an":[18],"analysis":[19,35],"tool.":[20],"The":[21,92,123],"spectrum":[22],"of":[23,30,36,43,76,86,107],"its":[24],"applications":[25],"ranges":[26],"from":[27,57],"simple":[28],"the":[31,41,44,58,69,77,84,101,105,120,127],"binding":[32],"site":[33],"through":[34],"molecular":[37],"dynamics":[38],"runs,":[39],"evaluation":[42],"homology":[45],"models":[46],"virtual":[48],"screening.":[49],"Here":[50],"we":[51],"present":[52],"novel":[54],"tool":[55],"derived":[56],"Structural":[59],"providing":[62],"detailed":[64],"unique":[66],"insight":[67],"into":[68,80],"interactions":[70],"between":[71],"receptor":[72],"specific":[74],"regions":[75],"ligand":[78],"(grouped":[79],"pharmacophore":[81],"features)":[82],"in":[83],"form":[85],"matrix,":[88],"2D-SIFt":[90],"descriptor.":[91],"provided":[93],"implementation":[94],"is":[95,130],"easy":[96],"use":[98],"extends":[100],"python":[102],"library,":[103],"allowing":[104],"generation":[106],"interaction":[108,128],"matrices":[109,129],"their":[111],"manipulation":[112],"(reading":[113],"writing":[115],"as":[116,118],"well":[117],"producing":[119],"average":[121],"2D-SIFt).":[122],"library":[124],"for":[125],"handling":[126],"available":[131],"repository":[133],"http://bitbucket.org/zchl/sift2d":[134],".":[135]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-07-07T14:30:12.667765","created_date":"2025-10-10T00:00:00"}