{"id":"https://openalex.org/W4386624741","doi":"https://doi.org/10.1021/acs.jmedchem.3c00107","title":"Inclusion of Control Data in Fits to Concentration\u2013Response Curves Improves Estimates of Half-Maximal Concentrations","display_name":"Inclusion of Control Data in Fits to Concentration\u2013Response Curves Improves Estimates of Half-Maximal Concentrations","publication_year":2023,"publication_date":"2023-09-12","ids":{"openalex":"https://openalex.org/W4386624741","doi":"https://doi.org/10.1021/acs.jmedchem.3c00107","pmid":"https://pubmed.ncbi.nlm.nih.gov/37697621","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/10544339"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jmedchem.3c00107","doi":"https://doi.org/10.1021/acs.jmedchem.3c00107","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jmedchem.3c00107","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.3c00107","source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.3c00107","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5032393879","display_name":"Van Ngoc Thuy La","orcid":"https://orcid.org/0000-0001-5302-3271","observed_orcids":["https://orcid.org/0000-0001-5302-3271"]},"institutions":[{"id":"https://openalex.org/I180949307","display_name":"Illinois Institute of Technology","ror":"https://ror.org/037t3ry66","country_code":"US","type":"education","lineage":["https://openalex.org/I180949307"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Van Ngoc Thuy La","raw_affiliation_strings":["Department of Biology, Illinois Institute of Technology, Chicago, Illinois 60616, United States"],"raw_orcid":"https://orcid.org/0000-0001-5302-3271","affiliations":[{"raw_affiliation_string":"Department of Biology, Illinois Institute of Technology, Chicago, Illinois 60616, United States","institution_ids":["https://openalex.org/I180949307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110947807","display_name":"Stanley Nicholson","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I180949307","display_name":"Illinois Institute of Technology","ror":"https://ror.org/037t3ry66","country_code":"US","type":"education","lineage":["https://openalex.org/I180949307"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Stanley Nicholson","raw_affiliation_strings":["Department of Applied Mathematics, Illinois Institute of Technology, Chicago, Illinois 60616, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Mathematics, Illinois Institute of Technology, Chicago, Illinois 60616, United States","institution_ids":["https://openalex.org/I180949307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061351570","display_name":"Amna Haneef","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I180949307","display_name":"Illinois Institute of Technology","ror":"https://ror.org/037t3ry66","country_code":"US","type":"education","lineage":["https://openalex.org/I180949307"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Amna Haneef","raw_affiliation_strings":["Department of Biology, Illinois Institute of Technology, Chicago, Illinois 60616, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biology, Illinois Institute of Technology, Chicago, Illinois 60616, United States","institution_ids":["https://openalex.org/I180949307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060603074","display_name":"Lulu Kang","orcid":"https://orcid.org/0000-0002-6000-3436","observed_orcids":["https://orcid.org/0000-0002-6000-3436","https://orcid.org/0000-0002-1085-0821"]},"institutions":[{"id":"https://openalex.org/I180949307","display_name":"Illinois Institute of Technology","ror":"https://ror.org/037t3ry66","country_code":"US","type":"education","lineage":["https://openalex.org/I180949307"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lulu Kang","raw_affiliation_strings":["Department of Applied Mathematics, Illinois Institute of Technology, Chicago, Illinois 60616, United States"],"raw_orcid":"https://orcid.org/0000-0002-6000-3436","affiliations":[{"raw_affiliation_string":"Department of Applied Mathematics, Illinois Institute of Technology, Chicago, Illinois 60616, United States","institution_ids":["https://openalex.org/I180949307"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087396555","display_name":"David D. L. Minh","orcid":"https://orcid.org/0000-0002-4802-2618","observed_orcids":["https://orcid.org/0000-0002-4802-2618"]},"institutions":[{"id":"https://openalex.org/I180949307","display_name":"Illinois Institute of Technology","ror":"https://ror.org/037t3ry66","country_code":"US","type":"education","lineage":["https://openalex.org/I180949307"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"David D. L. Minh","raw_affiliation_strings":["Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616, United States"],"raw_orcid":"https://orcid.org/0000-0002-4802-2618","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616, United States","institution_ids":["https://openalex.org/I180949307"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5087396555"],"corresponding_institution_ids":["https://openalex.org/I180949307"],"apc_list":{"value":5000,"currency":"USD","value_usd":5000},"apc_paid":{"value":5000,"currency":"USD","value_usd":5000},"fwci":1.0145,"has_fulltext":true,"cited_by_count":5,"citation_normalized_percentile":{"value":0.77511881,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"66","issue":"18","first_page":"12751","last_page":"12761"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11235","display_name":"Statistical Methods in Clinical Trials","score":0.24410000443458557,"subfield":{"id":"https://openalex.org/subfields/2613","display_name":"Statistics and Probability"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11235","display_name":"Statistical Methods in Clinical Trials","score":0.24410000443458557,"subfield":{"id":"https://openalex.org/subfields/2613","display_name":"Statistics and Probability"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.1770000010728836,"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/T13487","display_name":"Statistical and numerical algorithms","score":0.13339999318122864,"subfield":{"id":"https://openalex.org/subfields/2604","display_name":"Applied Mathematics"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/concentration-response-curves","display_name":"concentration-response curves","score":0.9959999918937683},{"id":"https://openalex.org/keywords/hill-equation","display_name":"Hill equation","score":0.828000009059906},{"id":"https://openalex.org/keywords/control-data","display_name":"control data","score":0.5950000286102295},{"id":"https://openalex.org/keywords/nonlinear-regression","display_name":"nonlinear regression","score":0.7940000295639038},{"id":"https://openalex.org/keywords/maximum-likelihood-estimation","display_name":"maximum likelihood estimation","score":0.9829999804496765},{"id":"https://openalex.org/keywords/parameter-estimation","display_name":"parameter estimation","score":0.5370000004768372},{"id":"https://openalex.org/keywords/enzyme-inhibition","display_name":"enzyme inhibition","score":0.7350000143051147},{"id":"https://openalex.org/keywords/outlier-detection","display_name":"outlier detection","score":0.9620000123977661},{"id":"https://openalex.org/keywords/covid-moonshot","display_name":"COVID Moonshot","score":0.7149999737739563},{"id":"https://openalex.org/keywords/chemical-toxicity-assessment","display_name":"chemical toxicity assessment","score":0.34599998593330383}],"concepts":[{"id":"https://openalex.org/C79337645","wikidata":"https://www.wikidata.org/wiki/Q779824","display_name":"Outlier","level":2,"score":0.7074143886566162},{"id":"https://openalex.org/C46889948","wikidata":"https://www.wikidata.org/wiki/Q2755024","display_name":"Nonlinear regression","level":3,"score":0.5841500163078308},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5090379118919373},{"id":"https://openalex.org/C184389593","wikidata":"https://www.wikidata.org/wiki/Q603159","display_name":"Curve fitting","level":2,"score":0.5038313269615173},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.49733927845954895},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.4722033441066742},{"id":"https://openalex.org/C83546350","wikidata":"https://www.wikidata.org/wiki/Q1139051","display_name":"Regression","level":2,"score":0.4274158477783203},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.420976847410202},{"id":"https://openalex.org/C18747219","wikidata":"https://www.wikidata.org/wiki/Q620994","display_name":"Standard error","level":2,"score":0.41457825899124146},{"id":"https://openalex.org/C152877465","wikidata":"https://www.wikidata.org/wiki/Q208042","display_name":"Regression analysis","level":2,"score":0.37353813648223877},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.35637468099594116},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3544883131980896},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jmedchem.3c00107","doi":"https://doi.org/10.1021/acs.jmedchem.3c00107","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jmedchem.3c00107","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.3c00107","source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"},{"id":"doi:10.26434/chemrxiv-2023-7wm8k","doi":"https://doi.org/10.26434/chemrxiv-2023-7wm8k","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2023-7wm8k","pdf_url":"https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63c2c6a54fba701fe1057de7/original/inclusion-of-control-data-in-fits-to-concentration-response-curves-improves-estimates-of-half-maximal-concentrations.pdf","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},{"id":"pmh:oai:pubmedcentral.nih.gov:10544339","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10544339","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10544339/pdf/jm3c00107.pdf","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,"listed_in":[],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"J Med Chem","raw_type":"Text"},{"id":"pmid:37697621","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37697621","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,"listed_in":[],"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 medicinal chemistry","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1021/acs.jmedchem.3c00107","doi":"https://doi.org/10.1021/acs.jmedchem.3c00107","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jmedchem.3c00107","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.3c00107","source":{"id":"https://openalex.org/S162030435","display_name":"Journal of Medicinal Chemistry","issn_l":"0022-2623","issn":["0022-2623","1520-4804"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Medicinal Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.4000000059604645}],"study_designs":[],"awards":[{"id":"https://openalex.org/G8539053835","display_name":"Collaborative Research: CDS&E: Elucidating Binding using Bayesian Inference to Integrate Multiple Data Sources","funder_award_id":"1905324","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320333380","display_name":"Pritzker Institute of Biomedical Science and Engineering","ror":"https://ror.org/052hy5908"},{"id":"https://openalex.org/F4320338247","display_name":"Moonshot Research and Development Program","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4386624741.pdf","grobid_xml":"https://content.openalex.org/works/W4386624741.grobid-xml"},"referenced_works_count":21,"referenced_works":["https://openalex.org/W1974743418","https://openalex.org/W2002069093","https://openalex.org/W2022948223","https://openalex.org/W2031250847","https://openalex.org/W2101900037","https://openalex.org/W2103474680","https://openalex.org/W2120637011","https://openalex.org/W2169843745","https://openalex.org/W2212640525","https://openalex.org/W2439807060","https://openalex.org/W2563733955","https://openalex.org/W2786229059","https://openalex.org/W2936432042","https://openalex.org/W3003257820","https://openalex.org/W3088800108","https://openalex.org/W3103145119","https://openalex.org/W3207414817","https://openalex.org/W4246803746","https://openalex.org/W4254607142","https://openalex.org/W4388251328","https://openalex.org/W6606676727"],"related_works":["https://openalex.org/W3088800108","https://openalex.org/W7168493974","https://openalex.org/W1983346178","https://openalex.org/W2016150338","https://openalex.org/W1999685153","https://openalex.org/W2101900037","https://openalex.org/W1996910534","https://openalex.org/W2721501237","https://openalex.org/W1585339076","https://openalex.org/W2007363498"],"abstract_inverted_index":{"Concentration\u2013response":[0],"curves,":[1],"in":[2,130],"which":[3],"the":[4,8,11,43,53,72,78,82,85,91,109,114,131,134],"effect":[5],"of":[6,13,25,104,133],"varying":[7],"concentration":[9],"on":[10,64],"response":[12],"an":[14],"assay":[15],"is":[16],"measured,":[17],"are":[18,127],"widely":[19],"used":[20],"to":[21,52,80,146],"evaluate":[22],"biological":[23],"effects":[24],"chemical":[26],"compounds.":[27],"While":[28],"National":[29],"Center":[30],"for":[31,71,123],"Advancing":[32],"Translational":[33],"Sciences":[34],"guidelines":[35],"specify":[36],"that":[37,68,90,113,140],"readouts":[38],"should":[39],"be":[40],"normalized":[41],"by":[42,76],"controls,":[44],"recommended":[45],"statistical":[46],"analyses":[47],"do":[48],"not":[49],"explicitly":[50],"fit":[51],"control":[54,86],"data.":[55,87],"Here,":[56],"we":[57],"introduce":[58],"a":[59,118],"nonlinear":[60],"regression":[61],"procedure":[62,93,116],"based":[63],"maximum":[65],"likelihood":[66],"estimation":[67],"determines":[69],"parameters":[70,97,148],"classical":[73],"Hill":[74],"equation":[75],"fitting":[77],"model":[79],"both":[81],"curve":[83],"and":[84],"Simulations":[88],"show":[89],"proposed":[92,115],"provides":[94],"more":[95,149],"precise":[96],"compared":[98],"with":[99],"previously":[100],"prescribed":[101],"practices.":[102],"Analysis":[103],"enzymatic":[105],"inhibition":[106],"data":[107],"from":[108],"COVID":[110],"Moonshot":[111],"demonstrates":[112],"yields":[117],"lower":[119],"asymptotic":[120],"standard":[121],"error":[122],"estimated":[124],"parameters.":[125],"Benefits":[126],"most":[128],"evident":[129],"analysis":[132],"incomplete":[135],"curves.":[136],"We":[137],"also":[138],"find":[139],"Lenth\u2019s":[141],"outlier":[142],"detection":[143],"method":[144],"appears":[145],"determine":[147],"precisely.":[150]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2023-09-13T00:00:00"}