{"id":"https://openalex.org/W7220866873","doi":"https://doi.org/10.26434/chemrxiv.15010039/v1","title":"Inconsistent odor-threshold measurements limit prediction from molecular structure","display_name":"Inconsistent odor-threshold measurements limit prediction from molecular structure","publication_year":2026,"publication_date":"2026-10-07","ids":{"openalex":"https://openalex.org/W7220866873","doi":"https://doi.org/10.26434/chemrxiv.15010039/v1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15010039/v1","doi":"https://doi.org/10.26434/chemrxiv.15010039/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15010039/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010039/v1","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010039/v1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5118672221","display_name":"Anand R. Mysorekar","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Anand R. Mysorekar","raw_affiliation_strings":["Aurat , 828 E Market St , Louisville , KY 40206 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Aurat , 828 E Market St , Louisville , KY 40206 , USA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5116175001","display_name":"Lekha Challappa","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Lekha Challappa","raw_affiliation_strings":["Aurat , 828 E Market St , Louisville , KY 40206 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Aurat , 828 E Market St , Louisville , KY 40206 , USA","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10971","display_name":"Olfactory and Sensory Function Studies","score":0.3833000063896179,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10971","display_name":"Olfactory and Sensory Function Studies","score":0.3833000063896179,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.36329999566078186,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11821","display_name":"Odor and Emission Control Technologies","score":0.04529999941587448,"subfield":{"id":"https://openalex.org/subfields/1508","display_name":"Process Chemistry and Technology"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/odor-detection-threshold","display_name":"odor detection threshold","score":0.8100000023841858},{"id":"https://openalex.org/keywords/molecular-structure","display_name":"molecular structure","score":0.47099998593330383},{"id":"https://openalex.org/keywords/inter-study-variability","display_name":"inter-study variability","score":0.5260000228881836},{"id":"https://openalex.org/keywords/uncertainty-calibration","display_name":"uncertainty calibration","score":0.6890000104904175},{"id":"https://openalex.org/keywords/molecular-representation","display_name":"molecular representation","score":0.4970000088214874}],"concepts":[{"id":"https://openalex.org/C165838908","wikidata":"https://www.wikidata.org/wiki/Q736777","display_name":"Calibration","level":2,"score":0.5527999997138977},{"id":"https://openalex.org/C43214815","wikidata":"https://www.wikidata.org/wiki/Q7310987","display_name":"Reliability (semiconductor)","level":3,"score":0.539900004863739},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.5220000147819519},{"id":"https://openalex.org/C64413873","wikidata":"https://www.wikidata.org/wiki/Q21005","display_name":"Threshold limit value","level":2,"score":0.5041999816894531},{"id":"https://openalex.org/C151201525","wikidata":"https://www.wikidata.org/wiki/Q177239","display_name":"Limit (mathematics)","level":2,"score":0.4738999903202057},{"id":"https://openalex.org/C2776291640","wikidata":"https://www.wikidata.org/wiki/Q2912517","display_name":"Value (mathematics)","level":2,"score":0.47040000557899475},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4571000039577484},{"id":"https://openalex.org/C61797465","wikidata":"https://www.wikidata.org/wiki/Q1188986","display_name":"Term (time)","level":2,"score":0.40139999985694885},{"id":"https://openalex.org/C19619285","wikidata":"https://www.wikidata.org/wiki/Q196372","display_name":"Observational error","level":2,"score":0.3935999870300293},{"id":"https://openalex.org/C83546350","wikidata":"https://www.wikidata.org/wiki/Q1139051","display_name":"Regression","level":2,"score":0.38749998807907104},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.38420000672340393},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.38370001316070557},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3792000114917755},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3449999988079071},{"id":"https://openalex.org/C149782125","wikidata":"https://www.wikidata.org/wiki/Q160039","display_name":"Econometrics","level":1,"score":0.33629998564720154},{"id":"https://openalex.org/C167085575","wikidata":"https://www.wikidata.org/wiki/Q6803654","display_name":"Mean squared prediction error","level":2,"score":0.33169999718666077},{"id":"https://openalex.org/C152877465","wikidata":"https://www.wikidata.org/wiki/Q208042","display_name":"Regression analysis","level":2,"score":0.3091999888420105},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.3084000051021576},{"id":"https://openalex.org/C141042865","wikidata":"https://www.wikidata.org/wiki/Q200125","display_name":"Expected value","level":2,"score":0.3050000071525574},{"id":"https://openalex.org/C170797541","wikidata":"https://www.wikidata.org/wiki/Q452399","display_name":"Error bar","level":2,"score":0.3001999855041504},{"id":"https://openalex.org/C2776502983","wikidata":"https://www.wikidata.org/wiki/Q690182","display_name":"Contrast (vision)","level":2,"score":0.2937999963760376},{"id":"https://openalex.org/C2777317252","wikidata":"https://www.wikidata.org/wiki/Q18393516","display_name":"Rare events","level":2,"score":0.29280000925064087},{"id":"https://openalex.org/C99498987","wikidata":"https://www.wikidata.org/wiki/Q2210247","display_name":"Noise (video)","level":3,"score":0.2671999931335449},{"id":"https://openalex.org/C196083921","wikidata":"https://www.wikidata.org/wiki/Q7915758","display_name":"Variance (accounting)","level":2,"score":0.2662000060081482},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.25949999690055847},{"id":"https://openalex.org/C139676723","wikidata":"https://www.wikidata.org/wiki/Q1193832","display_name":"Sign (mathematics)","level":2,"score":0.2547999918460846}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15010039/v1","doi":"https://doi.org/10.26434/chemrxiv.15010039/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15010039/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010039/v1","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv.15010039/v1","doi":"https://doi.org/10.26434/chemrxiv.15010039/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15010039/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010039/v1","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7220866873.pdf","grobid_xml":"https://content.openalex.org/works/W7220866873.grobid-xml"},"referenced_works_count":18,"referenced_works":["https://openalex.org/W233922961","https://openalex.org/W1982145177","https://openalex.org/W1988037271","https://openalex.org/W2025350105","https://openalex.org/W2054716083","https://openalex.org/W2113136582","https://openalex.org/W2117709247","https://openalex.org/W2203714058","https://openalex.org/W2909063104","https://openalex.org/W2920804790","https://openalex.org/W2964060211","https://openalex.org/W2982216862","https://openalex.org/W3093934881","https://openalex.org/W4302338619","https://openalex.org/W4386347768","https://openalex.org/W4386373863","https://openalex.org/W4387502396","https://openalex.org/W4390221451"],"related_works":["https://openalex.org/W2771325876","https://openalex.org/W7167609029","https://openalex.org/W2804663332","https://openalex.org/W2513460103","https://openalex.org/W1015749485","https://openalex.org/W2364960507","https://openalex.org/W4410052783","https://openalex.org/W7167671600","https://openalex.org/W2355907018","https://openalex.org/W7207775641"],"abstract_inverted_index":{"Existing":[0],"work":[1],"treats":[2],"odor":[3,214],"detection":[4,215],"threshold":[5,66,153,216],"prediction":[6,198,217],"as":[7],"a":[8,63,78,118,150,178,187,200],"supervised":[9],"regression":[10],"problem,":[11],"assuming":[12],"published":[13,113],"thresholds":[14,45],"are":[15,23],"clean":[16],"targets.":[17],"In":[18],"current":[19],"public":[20,42],"datasets,":[21],"they":[22],"not:":[24],"values":[25],"come":[26],"from":[27,85],"different":[28],"measurement":[29],"sources":[30],"and":[31,149,193,195,230],"often":[32],"disagree":[33],"for":[34,46,140,234],"the":[35,39,86,97,109,112,130,145,160,184],"same":[36],"molecule.":[37],"Across":[38],"three":[40],"largest":[41],"air-phase":[43],"compilations,":[44],"identical":[47],"molecules":[48],"differ":[49,84],"systematically":[50],"by":[51,67,89,163,168],"median":[52],"factors":[53],"of":[54,144],"3":[55],"to":[56,83],"11.":[57],"Individual":[58],"source":[59],"studies":[60,128],"vary":[61],"around":[62],"compound\u2019s":[64],"underlying":[65],"about":[68,90,170],"1.4":[69],"log":[70,92,172],"10":[71,93,173],"units,":[72],"so":[73],"under":[74],"an":[75],"independent-source":[76],"approximation,":[77],"new":[79,119],"study":[80],"is":[81],"expected":[82,123],"compiled":[87,131],"value":[88,104,132],"1.6":[91],"units.":[94,174],"This":[95],"exceeds":[96],"best":[98],"structure-based":[99],"model\u2019s":[100,146],"error":[101,106,167],"against":[102],"that":[103,182,211,232],"(root-mean-square":[105],"1.34),":[107],"meaning":[108],"model":[110,181],"matches":[111],"compilation":[114],"more":[115,133],"closely":[116],"than":[117],"experiment":[120],"would":[121],"be":[122],"to.":[124],"Although":[125],"averaging":[126],"multiple":[127],"makes":[129],"precise,":[134],"its":[135],"remaining":[136],"uncertainty":[137],"still":[138],"accounts":[139],"at":[141],"least":[142],"one-third":[143],"prediction-error":[147],"variance,":[148],"single":[151],"source-study":[152],"has":[154],"estimated":[155],"reliability":[156],"near":[157],"0.5.":[158],"Changing":[159],"molecular":[161,223],"representation,":[162],"comparison,":[164],"changes":[165],"root-mean-square":[166],"only":[169,220],"0.2":[171],"We":[175],"therefore":[176],"introduce":[177],"joint":[179],"calibration":[180],"places":[183],"compilations":[185],"on":[186,221,227],"common":[188],"scale,":[189],"estimates":[190],"source-specific":[191],"offsets":[192],"noise,":[194],"improves":[196],"cross-compilation":[197],"over":[199],"simple":[201],"fixed-offset":[202],"correction":[203],"while":[204],"providing":[205],"calibrated":[206],"uncertainty.":[207],"These":[208],"results":[209],"show":[210],"progress":[212],"in":[213],"depends":[218],"not":[219],"better":[222,228],"models,":[224],"but":[225],"also":[226],"measurements":[229],"methods":[231],"account":[233],"disagreement":[235],"across":[236],"data":[237],"sources.":[238]},"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-10-08T00:00:00"}