{"id":"https://openalex.org/W2041603354","doi":"https://doi.org/10.1007/s10822-012-9608-4","title":"A new fingerprint to predict nonribosomal peptides activity","display_name":"A new fingerprint to predict nonribosomal peptides activity","publication_year":2012,"publication_date":"2012-09-29","ids":{"openalex":"https://openalex.org/W2041603354","doi":"https://doi.org/10.1007/s10822-012-9608-4","mag":"2041603354","pmid":"https://pubmed.ncbi.nlm.nih.gov/23053735"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-012-9608-4","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-012-9608-4","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-012-9608-4.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s10822-012-9608-4.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011865103","display_name":"Ammar Abdo","orcid":"https://orcid.org/0000-0003-4569-2744"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210138412","display_name":"Centre Inria de l'Universit\u00e9 de Lille","ror":"https://ror.org/04eej9726","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1326498283","https://openalex.org/I4210138412"]},{"id":"https://openalex.org/I4210160005","display_name":"Computer Science Laboratory of Lille","ror":null,"country_code":"FR","type":null,"lineage":["https://openalex.org/I4210160005"]},{"id":"https://openalex.org/I174424907","display_name":"Laboratoire d'Informatique Fondamentale de Lille","ror":"https://ror.org/05rhg0h08","country_code":"FR","type":"facility","lineage":["https://openalex.org/I174424907"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Ammar Abdo","raw_affiliation_strings":["LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, Villeneuve d'Ascq cedex, France. ammar_utm@yahoo.com","BONSAI -\n        Bioinformatics and Sequence Analysis","LIFL -\n        Laboratoire d'Informatique Fondamentale de Lille"],"affiliations":[{"raw_affiliation_string":"LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, Villeneuve d'Ascq cedex, France. ammar_utm@yahoo.com","institution_ids":["https://openalex.org/I4210138412","https://openalex.org/I4210160005","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"BONSAI -\n        Bioinformatics and Sequence Analysis","institution_ids":[]},{"raw_affiliation_string":"LIFL -\n        Laboratoire d'Informatique Fondamentale de Lille","institution_ids":["https://openalex.org/I174424907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011065561","display_name":"S\u00e9gol\u00e8ne Caboche","orcid":"https://orcid.org/0000-0002-3658-3477"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I174424907","display_name":"Laboratoire d'Informatique Fondamentale de Lille","ror":"https://ror.org/05rhg0h08","country_code":"FR","type":"facility","lineage":["https://openalex.org/I174424907"]},{"id":"https://openalex.org/I2279609970","display_name":"Universit\u00e9 de Lille","ror":"https://ror.org/02kzqn938","country_code":"FR","type":"education","lineage":["https://openalex.org/I2279609970"]},{"id":"https://openalex.org/I4210138412","display_name":"Centre Inria de l'Universit\u00e9 de Lille","ror":"https://ror.org/04eej9726","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1326498283","https://openalex.org/I4210138412"]},{"id":"https://openalex.org/I4210154774","display_name":"Polytech Lille","ror":"https://ror.org/05339ng12","country_code":"FR","type":"education","lineage":["https://openalex.org/I4210154774"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"S\u00e9gol\u00e8ne Caboche","raw_affiliation_strings":["LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, 59655, Villeneuve d\u2019Ascq cedex, France","ProBioGEM, UPRES EA 1026, Polytech\u2019Lille, Av P. Langevin, Univ Lille 1-Sciences et Technologies, 59655, Villeneuve d\u2019Ascq cedex, France","LIFL -\n        Laboratoire d'Informatique Fondamentale de Lille","BONSAI -\n        Bioinformatics and Sequence Analysis"],"affiliations":[{"raw_affiliation_string":"LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, 59655, Villeneuve d\u2019Ascq cedex, France","institution_ids":["https://openalex.org/I4210138412","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"ProBioGEM, UPRES EA 1026, Polytech\u2019Lille, Av P. Langevin, Univ Lille 1-Sciences et Technologies, 59655, Villeneuve d\u2019Ascq cedex, France","institution_ids":["https://openalex.org/I2279609970","https://openalex.org/I4210154774"]},{"raw_affiliation_string":"LIFL -\n        Laboratoire d'Informatique Fondamentale de Lille","institution_ids":["https://openalex.org/I174424907"]},{"raw_affiliation_string":"BONSAI -\n        Bioinformatics and Sequence Analysis","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088172788","display_name":"Val\u00e9rie Lecl\u00e8re","orcid":"https://orcid.org/0000-0003-2463-5361"},"institutions":[{"id":"https://openalex.org/I2279609970","display_name":"Universit\u00e9 de Lille","ror":"https://ror.org/02kzqn938","country_code":"FR","type":"education","lineage":["https://openalex.org/I2279609970"]},{"id":"https://openalex.org/I4210154774","display_name":"Polytech Lille","ror":"https://ror.org/05339ng12","country_code":"FR","type":"education","lineage":["https://openalex.org/I4210154774"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Val\u00e9rie Lecl\u00e8re","raw_affiliation_strings":["ProBioGEM, UPRES EA 1026, Polytech\u2019Lille, Av P. Langevin, Univ Lille 1-Sciences et Technologies, 59655, Villeneuve d\u2019Ascq cedex, France","PROBIOGEM -\n        Laboratoire des Proc\u00e9d\u00e9s Biologiques G\u00e9nie Enzymatique et Microbien"],"affiliations":[{"raw_affiliation_string":"ProBioGEM, UPRES EA 1026, Polytech\u2019Lille, Av P. Langevin, Univ Lille 1-Sciences et Technologies, 59655, Villeneuve d\u2019Ascq cedex, France","institution_ids":["https://openalex.org/I2279609970","https://openalex.org/I4210154774"]},{"raw_affiliation_string":"PROBIOGEM -\n        Laboratoire des Proc\u00e9d\u00e9s Biologiques G\u00e9nie Enzymatique et Microbien","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108101057","display_name":"Philippe Jacques","orcid":"https://orcid.org/0000-0003-4392-9525"},"institutions":[{"id":"https://openalex.org/I4210154774","display_name":"Polytech Lille","ror":"https://ror.org/05339ng12","country_code":"FR","type":"education","lineage":["https://openalex.org/I4210154774"]},{"id":"https://openalex.org/I2279609970","display_name":"Universit\u00e9 de Lille","ror":"https://ror.org/02kzqn938","country_code":"FR","type":"education","lineage":["https://openalex.org/I2279609970"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Philippe Jacques","raw_affiliation_strings":["ProBioGEM, UPRES EA 1026, Polytech\u2019Lille, Av P. Langevin, Univ Lille 1-Sciences et Technologies, 59655, Villeneuve d\u2019Ascq cedex, France","PROBIOGEM -\n        Laboratoire des Proc\u00e9d\u00e9s Biologiques G\u00e9nie Enzymatique et Microbien"],"affiliations":[{"raw_affiliation_string":"ProBioGEM, UPRES EA 1026, Polytech\u2019Lille, Av P. Langevin, Univ Lille 1-Sciences et Technologies, 59655, Villeneuve d\u2019Ascq cedex, France","institution_ids":["https://openalex.org/I2279609970","https://openalex.org/I4210154774"]},{"raw_affiliation_string":"PROBIOGEM -\n        Laboratoire des Proc\u00e9d\u00e9s Biologiques G\u00e9nie Enzymatique et Microbien","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024994641","display_name":"Maude Pupin","orcid":"https://orcid.org/0000-0003-3197-0715"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210138412","display_name":"Centre Inria de l'Universit\u00e9 de Lille","ror":"https://ror.org/04eej9726","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1326498283","https://openalex.org/I4210138412"]},{"id":"https://openalex.org/I174424907","display_name":"Laboratoire d'Informatique Fondamentale de Lille","ror":"https://ror.org/05rhg0h08","country_code":"FR","type":"facility","lineage":["https://openalex.org/I174424907"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Maude Pupin","raw_affiliation_strings":["LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, 59655, Villeneuve d\u2019Ascq cedex, France","BONSAI -\n        Bioinformatics and Sequence Analysis","LIFL -\n        Laboratoire d'Informatique Fondamentale de Lille"],"affiliations":[{"raw_affiliation_string":"LIFL UMR CNRS 8022 Universit\u00e9 Lille 1 and INRIA Lille Nord Europe, 59655, Villeneuve d\u2019Ascq cedex, France","institution_ids":["https://openalex.org/I4210138412","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"BONSAI -\n        Bioinformatics and Sequence Analysis","institution_ids":[]},{"raw_affiliation_string":"LIFL -\n        Laboratoire d'Informatique Fondamentale de Lille","institution_ids":["https://openalex.org/I174424907"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5011865103"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I174424907","https://openalex.org/I4210138412","https://openalex.org/I4210160005"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":{"value":2890,"currency":"EUR","value_usd":3690},"fwci":0.5368,"has_fulltext":true,"cited_by_count":13,"citation_normalized_percentile":{"value":0.65277711,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"26","issue":"10","first_page":"1187","last_page":"1194"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13326","display_name":"Biochemical and Structural Characterization","score":0.9990000128746033,"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"}},"topics":[{"id":"https://openalex.org/T13326","display_name":"Biochemical and Structural Characterization","score":0.9990000128746033,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9908999800682068,"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/nonribosomal-peptide","display_name":"Nonribosomal peptide","score":0.7835577726364136},{"id":"https://openalex.org/keywords/fingerprint","display_name":"Fingerprint (computing)","score":0.6078109741210938},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.562517523765564},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.46976137161254883},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.402619868516922},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3419806957244873},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.30800098180770874},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2130250632762909},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.20758172869682312},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.18403714895248413},{"id":"https://openalex.org/keywords/biosynthesis","display_name":"Biosynthesis","score":0.09809964895248413}],"concepts":[{"id":"https://openalex.org/C2777379556","wikidata":"https://www.wikidata.org/wiki/Q1443801","display_name":"Nonribosomal peptide","level":4,"score":0.7835577726364136},{"id":"https://openalex.org/C2777826928","wikidata":"https://www.wikidata.org/wiki/Q3745713","display_name":"Fingerprint (computing)","level":2,"score":0.6078109741210938},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.562517523765564},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.46976137161254883},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.402619868516922},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3419806957244873},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.30800098180770874},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2130250632762909},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.20758172869682312},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.18403714895248413},{"id":"https://openalex.org/C553450214","wikidata":"https://www.wikidata.org/wiki/Q851162","display_name":"Biosynthesis","level":3,"score":0.09809964895248413}],"mesh":[{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D005658","descriptor_name":"Fungi","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D005658","descriptor_name":"Fungi","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D005658","descriptor_name":"Fungi","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D005658","descriptor_name":"Fungi","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D010453","descriptor_name":"Peptide Synthases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010453","descriptor_name":"Peptide Synthases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010453","descriptor_name":"Peptide Synthases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010453","descriptor_name":"Peptide Synthases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1007/s10822-012-9608-4","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-012-9608-4","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-012-9608-4.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:23053735","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23053735","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},{"id":"pmh:oai:HAL:hal-00750002v1","is_oa":true,"landing_page_url":"https://hal.science/hal-00750002","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Computer-Aided Molecular Design, 2012, 26 (10), pp.1187-94. &#x27E8;10.1007/s10822-012-9608-4&#x27E9;","raw_type":"Journal articles"},{"id":"pmh:oai:orbi.ulg.ac.be:2268/173227","is_oa":false,"landing_page_url":"https://orbi.uliege.be/handle/2268/173227","pdf_url":null,"source":{"id":"https://openalex.org/S4306400651","display_name":"Open Repository and Bibliography (University of Li\u00e8ge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I157674565","host_organization_name":"University of Li\u00e8ge","host_organization_lineage":["https://openalex.org/I157674565"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Computer-Aided Molecular Design, 26 (10), 1187-94 (2012)","raw_type":"peer reviewed"},{"id":"pmh:oai:pubmedcentral.nih.gov:3482460","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3482460","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 Comput Aided Mol Des","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1007/s10822-012-9608-4","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-012-9608-4","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-012-9608-4.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320313934","display_name":"Institut national de recherche en informatique et en automatique (INRIA)","ror":"https://ror.org/02kvxyf05"},{"id":"https://openalex.org/F4320324737","display_name":"Universit\u00e9 Lille 1 - Sciences et Technologies","ror":"https://ror.org/040hwdc70"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2041603354.pdf","grobid_xml":"https://content.openalex.org/works/W2041603354.grobid-xml"},"referenced_works_count":35,"referenced_works":["https://openalex.org/W1504523189","https://openalex.org/W1513123914","https://openalex.org/W1570448133","https://openalex.org/W1912123407","https://openalex.org/W1965577964","https://openalex.org/W1972912380","https://openalex.org/W1974041968","https://openalex.org/W1976533925","https://openalex.org/W1978609583","https://openalex.org/W1990748933","https://openalex.org/W1992121922","https://openalex.org/W2011700260","https://openalex.org/W2014276094","https://openalex.org/W2024311391","https://openalex.org/W2030087063","https://openalex.org/W2046581055","https://openalex.org/W2062185057","https://openalex.org/W2073563699","https://openalex.org/W2080895748","https://openalex.org/W2101151945","https://openalex.org/W2102754716","https://openalex.org/W2114839447","https://openalex.org/W2118585731","https://openalex.org/W2125823311","https://openalex.org/W2130839195","https://openalex.org/W2131642993","https://openalex.org/W2131887397","https://openalex.org/W2133990480","https://openalex.org/W2135639274","https://openalex.org/W2143456020","https://openalex.org/W2147995249","https://openalex.org/W2151040995","https://openalex.org/W2154906759","https://openalex.org/W2155687799","https://openalex.org/W2162331245"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2082860237","https://openalex.org/W1523578163","https://openalex.org/W2007860582","https://openalex.org/W2029300483","https://openalex.org/W2119695867","https://openalex.org/W2158068445","https://openalex.org/W1510529932","https://openalex.org/W2130076355","https://openalex.org/W2098442675"],"abstract_inverted_index":{"Bacteria":[0],"and":[1,22,99,140],"fungi":[2],"use":[3],"a":[4,14,56,63,76,81,108],"set":[5],"of":[6,17,45,72,84,142,145],"enzymes":[7],"called":[8],"nonribosomal":[9,26],"peptide":[10,65],"synthetases":[11],"to":[12,50],"provide":[13],"wide":[15],"range":[16],"natural":[18],"peptides":[19,27],"displaying":[20],"structural":[21],"biological":[23,48,143],"diversity.":[24],"So,":[25],"(NRPs)":[28],"are":[29],"the":[30,43],"basis":[31],"for":[32,79,120],"some":[33],"efficient":[34],"drugs.":[35],"While":[36],"discovering":[37],"new":[38],"NRPs":[39,97,122,146],"is":[40,55,75,114,118],"very":[41],"desirable,":[42],"process":[44],"identifying":[46],"their":[47,88],"activity":[49],"be":[51],"used":[52,119],"as":[53],"drugs":[54],"challenge.":[57],"In":[58],"this":[59,125],"paper,":[60],"we":[61],"present":[62],"novel":[64,77],"fingerprint":[66,92],"based":[67],"on":[68],"monomer":[69,89,134],"composition":[70,90],"(MCFP)":[71],"NRPs.":[73],"MCFP":[74,100,117],"method":[78],"obtaining":[80],"representative":[82],"description":[83],"NRP":[85],"structures":[86],"from":[87,133],"in":[91],"form.":[93],"Experiments":[94],"with":[95],"Norine":[96],"database":[98],"show":[101],"high":[102,109],"prediction":[103,141],"accuracy":[104],"(>93":[105],"%).":[106],"Also":[107],"recall":[110],"rate":[111],"(>82":[112],"%)":[113],"obtained":[115],"when":[116],"screening":[121,139],"database.":[123,147],"From":[124],"study":[126],"it":[127],"appears":[128],"that":[129],"our":[130],"fingerprint,":[131],"built":[132],"composition,":[135],"allows":[136],"an":[137],"effective":[138],"activities":[144]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
