{"id":"https://openalex.org/W2092209773","doi":"https://doi.org/10.1021/ci100373t","title":"ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 5. Experiment Planning and Product Design","display_name":"ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 5. Experiment Planning and Product Design","publication_year":2010,"publication_date":"2010-12-17","ids":{"openalex":"https://openalex.org/W2092209773","doi":"https://doi.org/10.1021/ci100373t","mag":"2092209773","pmid":"https://pubmed.ncbi.nlm.nih.gov/21166466"},"language":"en","primary_location":{"id":"doi:10.1021/ci100373t","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci100373t","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030586147","display_name":"Vladimir Diky","orcid":"https://orcid.org/0000-0003-3546-6559"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":true,"raw_author_name":"Vladimir Diky","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073114894","display_name":"Robert D. Chirico","orcid":"https://orcid.org/0000-0001-7139-5378"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Robert D. Chirico","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110162021","display_name":"Andrei F. Kazakov","orcid":null},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Andrei F. Kazakov","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005760386","display_name":"Chris D. Muzny","orcid":"https://orcid.org/0000-0003-1153-983X"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]},{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Chris D. Muzny","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013081867","display_name":"Joseph W. Magee","orcid":"https://orcid.org/0000-0002-9312-8593"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]},{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Joseph W. Magee","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032910193","display_name":"Ilmutdin M. Abdulagatov","orcid":"https://orcid.org/0000-0002-6299-5280"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Ilmutdin Abdulagatov","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103248415","display_name":"Jeong Won Kang","orcid":"https://orcid.org/0000-0002-5161-1122"},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Jeong Won Kang","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010117931","display_name":"Kenneth Kroenlein","orcid":null},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Kenneth Kroenlein","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110344392","display_name":"Michael Frenkel","orcid":null},"institutions":[{"id":"https://openalex.org/I197347611","display_name":"Korea University","ror":"https://ror.org/047dqcg40","country_code":"KR","type":"education","lineage":["https://openalex.org/I197347611"]},{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["KR","US"],"is_corresponding":false,"raw_author_name":"Michael Frenkel","raw_affiliation_strings":["Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea"],"affiliations":[{"raw_affiliation_string":"Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States and Department of Chemical and Biological Engineering, Korea University, 5-1 Anam-Dong, Sungbuk-Ku, Seoul 136-701, South Korea","institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5030586147"],"corresponding_institution_ids":["https://openalex.org/I1321296531","https://openalex.org/I197347611"],"apc_list":null,"apc_paid":null,"fwci":2.5336,"has_fulltext":false,"cited_by_count":25,"citation_normalized_percentile":{"value":0.89046498,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"51","issue":"1","first_page":"181","last_page":"194"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11053","display_name":"Process Optimization and Integration","score":0.9962000250816345,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7365634441375732},{"id":"https://openalex.org/keywords/weighting","display_name":"Weighting","score":0.6826939582824707},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.6179468035697937},{"id":"https://openalex.org/keywords/software-deployment","display_name":"Software deployment","score":0.5437809228897095},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.4917352497577667},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.44681480526924133},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4426344037055969},{"id":"https://openalex.org/keywords/variable","display_name":"Variable (mathematics)","score":0.41002291440963745},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.27882254123687744}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7365634441375732},{"id":"https://openalex.org/C183115368","wikidata":"https://www.wikidata.org/wiki/Q856577","display_name":"Weighting","level":2,"score":0.6826939582824707},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.6179468035697937},{"id":"https://openalex.org/C105339364","wikidata":"https://www.wikidata.org/wiki/Q2297740","display_name":"Software deployment","level":2,"score":0.5437809228897095},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.4917352497577667},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.44681480526924133},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4426344037055969},{"id":"https://openalex.org/C182365436","wikidata":"https://www.wikidata.org/wiki/Q50701","display_name":"Variable (mathematics)","level":2,"score":0.41002291440963745},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.27882254123687744},{"id":"https://openalex.org/C126838900","wikidata":"https://www.wikidata.org/wiki/Q77604","display_name":"Radiology","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","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/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[{"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":"D012107","descriptor_name":"Research Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012107","descriptor_name":"Research Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012107","descriptor_name":"Research Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014835","descriptor_name":"Volatilization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014835","descriptor_name":"Volatilization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014835","descriptor_name":"Volatilization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055585","descriptor_name":"Physical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055585","descriptor_name":"Physical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055585","descriptor_name":"Physical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci100373t","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci100373t","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:21166466","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21166466","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}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5799999833106995,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320310502","display_name":"University of Canterbury","ror":"https://ror.org/03y7q9t39"},{"id":"https://openalex.org/F4320332178","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":29,"referenced_works":["https://openalex.org/W81190352","https://openalex.org/W141911618","https://openalex.org/W304523915","https://openalex.org/W1528833876","https://openalex.org/W1964130033","https://openalex.org/W1965878508","https://openalex.org/W1976883040","https://openalex.org/W1982210647","https://openalex.org/W1993724099","https://openalex.org/W1999442162","https://openalex.org/W2001525422","https://openalex.org/W2001729000","https://openalex.org/W2021551724","https://openalex.org/W2025727961","https://openalex.org/W2035212439","https://openalex.org/W2047337761","https://openalex.org/W2048438785","https://openalex.org/W2055518063","https://openalex.org/W2060135166","https://openalex.org/W2087156944","https://openalex.org/W2097995485","https://openalex.org/W2121633810","https://openalex.org/W2144047865","https://openalex.org/W4230211724","https://openalex.org/W4240121377","https://openalex.org/W4246968826","https://openalex.org/W4249129848","https://openalex.org/W4285719527","https://openalex.org/W6605725912"],"related_works":["https://openalex.org/W2180954594","https://openalex.org/W2052835778","https://openalex.org/W96612179","https://openalex.org/W2770234245","https://openalex.org/W2049003611","https://openalex.org/W2127804977","https://openalex.org/W2108418243","https://openalex.org/W164103134","https://openalex.org/W2283145973","https://openalex.org/W2905508610"],"abstract_inverted_index":{"ThermoData":[0],"Engine":[1],"(TDE)":[2],"is":[3,100,152],"the":[4,10,22,39,81,86,101,104,110],"first":[5],"full-scale":[6],"software":[7,105,135],"implementation":[8,136,143],"of":[9,28,38,42,46,57,64,103,112,117,123,129,144],"dynamic":[11],"data":[12,147],"evaluation":[13],"concept,":[14],"as":[15],"reported":[16],"recently":[17],"in":[18,109],"this":[19,139],"journal.":[20],"In":[21],"present":[23],"paper,":[24],"we":[25],"describe":[26],"development":[27],"an":[29],"algorithmic":[30],"approach":[31],"to":[32,137],"assist":[33],"experiment":[34],"planning":[35],"through":[36,115],"assessment":[37],"existing":[40],"body":[41],"knowledge,":[43],"including":[44],"availability":[45],"experimental":[47],"thermophysical":[48,124],"property":[49],"data,":[50,158],"variable":[51],"ranges":[52,128],"studied,":[53],"associated":[54],"uncertainties,":[55],"state":[56],"prediction":[58,65],"methods,":[59],"and":[60,67,133,149,159],"parameters":[61,70],"for":[62,107,154,161],"deployment":[63],"methods":[66],"how":[68,80],"these":[69],"can":[71],"be":[72],"obtained":[73],"using":[74],"targeted":[75],"measurements,":[76],"etc.,":[77],"and,":[78],"indeed,":[79],"intended":[82],"measurement":[83],"may":[84],"address":[85],"underlying":[87],"scientific":[88],"or":[89],"engineering":[90],"problem":[91],"under":[92],"consideration.":[93],"A":[94],"second":[95],"new":[96,146],"feature":[97],"described":[98,153],"here":[99],"application":[102],"capabilities":[106],"aid":[108],"design":[111],"chemical":[113,118],"products":[114],"identification":[116],"systems":[119],"possessing":[120],"desired":[121],"values":[122],"properties":[125],"within":[126],"defined":[127],"tolerance.":[130],"The":[131],"algorithms":[132],"their":[134],"achieve":[138],"are":[140,164],"described.":[141],"Finally,":[142],"a":[145],"validation":[148],"weighting":[150],"system":[151],"vapor-liquid":[155],"equilibrium":[156],"(VLE)":[157],"directions":[160],"future":[162],"enhancements":[163],"outlined.":[165]},"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}