{"id":"https://openalex.org/W2746621728","doi":"https://doi.org/10.1021/acs.jcim.7b00223","title":"Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics","display_name":"Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics","publication_year":2017,"publication_date":"2017-08-16","ids":{"openalex":"https://openalex.org/W2746621728","doi":"https://doi.org/10.1021/acs.jcim.7b00223","mag":"2746621728","pmid":"https://pubmed.ncbi.nlm.nih.gov/28812890"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.7b00223","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00223","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":null,"license_id":null,"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":"green","oa_url":"https://pure.qub.ac.uk/en/publications/61e44754-214a-49e7-9372-b4c6fe1eaec1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5070649646","display_name":"Charalampos Chomenidis","orcid":"https://orcid.org/0000-0003-0855-9805"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Charalampos Chomenidis","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019867445","display_name":"Georgios Drakakis","orcid":"https://orcid.org/0000-0002-6635-9273"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Georgios Drakakis","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082102542","display_name":"Georgia Tsiliki","orcid":"https://orcid.org/0000-0001-7209-3670"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Georgia Tsiliki","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":"https://orcid.org/0000-0001-7209-3670","affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051710250","display_name":"Evangelia Anagnostopoulou","orcid":"https://orcid.org/0000-0002-9795-7452"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Evangelia Anagnostopoulou","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049292742","display_name":"Angelos Valsamis","orcid":null},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Angelos Valsamis","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068952805","display_name":"Philip Doganis","orcid":"https://orcid.org/0000-0002-0628-8434"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Philip Doganis","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051529774","display_name":"Pantelis Sopasakis","orcid":"https://orcid.org/0000-0002-4584-2354"},"institutions":[{"id":"https://openalex.org/I99464096","display_name":"KU Leuven","ror":"https://ror.org/05f950310","country_code":"BE","type":"education","lineage":["https://openalex.org/I99464096"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Pantelis Sopasakis","raw_affiliation_strings":["STADIUS\rCenter for Dynamical Systems, Signal Processing and Data Analytics,\rDepartment of Electrical Engineering (ESAT), KU Leuven, Kasteelpark\rArenberg 10, 3001 Leuven, Belgium",". KU Leuven, Department of Electrical Engineering (ESAT), STADIUS Center for Dynamical Systems, Signal Processing and Data Analytics, Kasteelpark Arenberg 10, 3001 Leuven, Belgium"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"STADIUS\rCenter for Dynamical Systems, Signal Processing and Data Analytics,\rDepartment of Electrical Engineering (ESAT), KU Leuven, Kasteelpark\rArenberg 10, 3001 Leuven, Belgium","institution_ids":["https://openalex.org/I99464096"]},{"raw_affiliation_string":". KU Leuven, Department of Electrical Engineering (ESAT), STADIUS Center for Dynamical Systems, Signal Processing and Data Analytics, Kasteelpark Arenberg 10, 3001 Leuven, Belgium","institution_ids":["https://openalex.org/I99464096"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017246181","display_name":"Haralambos Sarimveis","orcid":"https://orcid.org/0000-0002-8607-9965"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":true,"raw_author_name":"Haralambos Sarimveis","raw_affiliation_strings":["School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece",". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece"],"raw_orcid":"https://orcid.org/0000-0002-8607-9965","affiliations":[{"raw_affiliation_string":"School\rof Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":". School of Chemical Engineering, National Technical University of Athens, Heroon Polytechneiou 9, Zografou, Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5017246181"],"corresponding_institution_ids":["https://openalex.org/I174458059"],"apc_list":null,"apc_paid":null,"fwci":2.2915,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.89640873,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"57","issue":"9","first_page":"2161","last_page":"2172"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9696999788284302,"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":0.9696999788284302,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9384999871253967,"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/T10079","display_name":"Nanoparticles: synthesis and applications","score":0.91839998960495,"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":0.6984387040138245},{"id":"https://openalex.org/keywords/novelty","display_name":"Novelty","score":0.6058983206748962},{"id":"https://openalex.org/keywords/harmonization","display_name":"Harmonization","score":0.5359865427017212},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.5264891982078552},{"id":"https://openalex.org/keywords/risk-analysis","display_name":"Risk analysis (engineering)","score":0.4843083918094635},{"id":"https://openalex.org/keywords/safer","display_name":"SAFER","score":0.44832390546798706},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.4140622019767761},{"id":"https://openalex.org/keywords/web-service","display_name":"Web service","score":0.413524329662323},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3755163550376892},{"id":"https://openalex.org/keywords/systems-engineering","display_name":"Systems engineering","score":0.3749752938747406},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.3669859766960144},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.1899530291557312},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.1815594732761383},{"id":"https://openalex.org/keywords/computer-security","display_name":"Computer security","score":0.1241578459739685},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.0882110595703125}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6984387040138245},{"id":"https://openalex.org/C2778738651","wikidata":"https://www.wikidata.org/wiki/Q16546687","display_name":"Novelty","level":2,"score":0.6058983206748962},{"id":"https://openalex.org/C2779962950","wikidata":"https://www.wikidata.org/wiki/Q5659376","display_name":"Harmonization","level":2,"score":0.5359865427017212},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.5264891982078552},{"id":"https://openalex.org/C112930515","wikidata":"https://www.wikidata.org/wiki/Q4389547","display_name":"Risk analysis (engineering)","level":1,"score":0.4843083918094635},{"id":"https://openalex.org/C2776654903","wikidata":"https://www.wikidata.org/wiki/Q2601463","display_name":"SAFER","level":2,"score":0.44832390546798706},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.4140622019767761},{"id":"https://openalex.org/C35578498","wikidata":"https://www.wikidata.org/wiki/Q193424","display_name":"Web service","level":2,"score":0.413524329662323},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3755163550376892},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","level":1,"score":0.3749752938747406},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3669859766960144},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.1899530291557312},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.1815594732761383},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.1241578459739685},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.0882110595703125},{"id":"https://openalex.org/C27206212","wikidata":"https://www.wikidata.org/wiki/Q34178","display_name":"Theology","level":1,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D004738","descriptor_name":"Engineering","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004738","descriptor_name":"Engineering","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004738","descriptor_name":"Engineering","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D049329","descriptor_name":"Nanostructures","qualifier_ui":"Q000009","qualifier_name":"adverse effects","is_major_topic":false},{"descriptor_ui":"D049329","descriptor_name":"Nanostructures","qualifier_ui":"Q000009","qualifier_name":"adverse effects","is_major_topic":false},{"descriptor_ui":"D049329","descriptor_name":"Nanostructures","qualifier_ui":"Q000009","qualifier_name":"adverse effects","is_major_topic":false},{"descriptor_ui":"D049329","descriptor_name":"Nanostructures","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D049329","descriptor_name":"Nanostructures","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D049329","descriptor_name":"Nanostructures","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.7b00223","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00223","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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:28812890","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28812890","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:pure.qub.ac.uk/portal:publications/61e44754-214a-49e7-9372-b4c6fe1eaec1","is_oa":true,"landing_page_url":"https://pure.qub.ac.uk/en/publications/61e44754-214a-49e7-9372-b4c6fe1eaec1","pdf_url":null,"source":{"id":"https://openalex.org/S4306402319","display_name":"Research Portal (Queen's University Belfast)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I126231945","host_organization_name":"Queen's University Belfast","host_organization_lineage":["https://openalex.org/I126231945"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chomenidis, C, Drakakis, G, Tsiliki, G, Anagnostopoulou, E, Valsamis, A, Doganis, P, Sopasakis, P & Sarimveis, H 2017, 'Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics', Journal of Chemical Information and Modeling, vol. 57, no. 9, pp. 2161\u20132172. https://doi.org/10.1021/acs.jcim.7b00223","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:pure.qub.ac.uk/portal:publications/61e44754-214a-49e7-9372-b4c6fe1eaec1","is_oa":true,"landing_page_url":"https://pure.qub.ac.uk/en/publications/61e44754-214a-49e7-9372-b4c6fe1eaec1","pdf_url":null,"source":{"id":"https://openalex.org/S4306402319","display_name":"Research Portal (Queen's University Belfast)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I126231945","host_organization_name":"Queen's University Belfast","host_organization_lineage":["https://openalex.org/I126231945"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chomenidis, C, Drakakis, G, Tsiliki, G, Anagnostopoulou, E, Valsamis, A, Doganis, P, Sopasakis, P & Sarimveis, H 2017, 'Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics', Journal of Chemical Information and Modeling, vol. 57, no. 9, pp. 2161\u20132172. https://doi.org/10.1021/acs.jcim.7b00223","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[{"score":0.6200000047683716,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[{"id":"https://openalex.org/G2216279767","display_name":null,"funder_award_id":"FP7-NMP-2013-SMALL-7","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G451698706","display_name":null,"funder_award_id":"FP7-NMP","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G6599398187","display_name":"eNanoMapper - A Database and Ontology Framework for Nanomaterials Design and Safety Assessment","funder_award_id":"604134","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G889588881","display_name":null,"funder_award_id":"604134","funder_id":"https://openalex.org/F4320338367","funder_display_name":"FP7 Nanosciences, Nanotechnologies, Materials and new Production Technologies"}],"funders":[{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320338367","display_name":"FP7 Nanosciences, Nanotechnologies, Materials and new Production Technologies","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W975671844","https://openalex.org/W1629867095","https://openalex.org/W1977224352","https://openalex.org/W1987560950","https://openalex.org/W1991254399","https://openalex.org/W2010883638","https://openalex.org/W2017827403","https://openalex.org/W2033192435","https://openalex.org/W2102380199","https://openalex.org/W2116924516","https://openalex.org/W2133990480","https://openalex.org/W2137516582","https://openalex.org/W2142480093","https://openalex.org/W2150829627","https://openalex.org/W2161433768","https://openalex.org/W2198766427","https://openalex.org/W2207973369","https://openalex.org/W2323147899","https://openalex.org/W2339381852","https://openalex.org/W2468683049","https://openalex.org/W2473929636","https://openalex.org/W2476931805","https://openalex.org/W2582743722","https://openalex.org/W4238389789"],"related_works":["https://openalex.org/W2953205341","https://openalex.org/W235065745","https://openalex.org/W2029935773","https://openalex.org/W2787754950","https://openalex.org/W1572215850","https://openalex.org/W1985775355","https://openalex.org/W2352115286","https://openalex.org/W2084793300","https://openalex.org/W2476350415","https://openalex.org/W3213537152"],"abstract_inverted_index":{"Engineered":[0],"nanomaterials":[1],"(ENMs)":[2],"are":[3,47,59],"increasingly":[4,49],"infiltrating":[5],"our":[6],"lives":[7],"as":[8,43,57],"a":[9,110],"result":[10,21],"of":[11,25,29,55,76,81,84,97,124],"their":[12],"applications":[13],"across":[14],"multiple":[15],"fields.":[16],"However,":[17],"ENM":[18,116],"formulations":[19],"may":[20],"in":[22,44,95],"the":[23,37,53,67,72,82,85,128,133],"modulation":[24],"pathways":[26],"and":[27,36,61,71,100,131,146],"mechanisms":[28],"toxic":[30],"action":[31],"that":[32],"endanger":[33],"human":[34],"health":[35],"environment.":[38],"Alternative":[39],"testing":[40],"methods":[41],"such":[42],"silico":[45],"approaches":[46,65],"becoming":[48],"popular":[50],"for":[51,93,115],"assessing":[52],"safety":[54],"ENMs,":[56],"they":[58],"cost-":[60],"time-effective.":[62],"Additionally,":[63],"computational":[64],"support":[66],"industrial":[68],"safer-by-design":[69],"challenge":[70],"REACH":[73],"legislation":[74],"objective":[75],"reducing":[77],"animal":[78],"testing.":[79,148],"Because":[80],"novelty":[83],"field,":[86],"there":[87],"is":[88],"also":[89],"an":[90],"evident":[91],"need":[92],"harmonization":[94],"terms":[96],"databases,":[98],"ontology,":[99],"modeling":[101,117],"infrastructures.":[102],"To":[103],"this":[104],"end,":[105],"we":[106],"present":[107],"Jaqpot":[108],"Quattro,":[109],"comprehensive":[111],"open-source":[112],"web":[113],"application":[114],"with":[118],"emphasis":[119],"on":[120],"predicting":[121],"adverse":[122],"effects":[123],"ENMs.":[125],"We":[126],"describe":[127],"system":[129],"architecture":[130],"outline":[132],"functionalities,":[134],"which":[135],"include":[136],"nanoQSAR":[137],"modeling,":[138],"validation":[139],"services,":[140],"read-across":[141],"predictions,":[142],"optimal":[143],"experimental":[144],"design,":[145],"interlaboratory":[147]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":2},{"year":2017,"cited_by_count":2}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}