{"id":"https://openalex.org/W7225423635","doi":"https://doi.org/10.26434/chemrxiv.15011798/v1","title":"Measuring chemical safety and refusal in language models","display_name":"Measuring chemical safety and refusal in language models","publication_year":2026,"publication_date":"2026-11-06","ids":{"openalex":"https://openalex.org/W7225423635","doi":"https://doi.org/10.26434/chemrxiv.15011798/v1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15011798/v1","doi":"https://doi.org/10.26434/chemrxiv.15011798/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15011798/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15011798/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.15011798/v1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084391827","display_name":"Ashutosh S. Jogalekar","orcid":"https://orcid.org/0009-0002-5113-2268","observed_orcids":["https://orcid.org/0009-0002-5113-2268"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Ashutosh S. Jogalekar","raw_affiliation_strings":["Szilard Scientific LLC"],"raw_orcid":"https://orcid.org/0009-0002-5113-2268","affiliations":[{"raw_affiliation_string":"Szilard Scientific LLC","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5084391827"],"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/T13840","display_name":"Chemical Safety and Risk Management","score":0.2556000053882599,"subfield":{"id":"https://openalex.org/subfields/1504","display_name":"Chemical Health and Safety"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T13840","display_name":"Chemical Safety and Risk Management","score":0.2556000053882599,"subfield":{"id":"https://openalex.org/subfields/1504","display_name":"Chemical Health and Safety"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.11680000275373459,"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/T11689","display_name":"Adversarial Robustness in Machine Learning","score":0.09589999914169312,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chemical-safety","display_name":"chemical safety","score":0.6869999766349792},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"cheminformatics","score":0.3779999911785126},{"id":"https://openalex.org/keywords/molecular-identifiers","display_name":"molecular identifiers","score":0.7200000286102295},{"id":"https://openalex.org/keywords/safety-benchmark","display_name":"safety benchmark","score":0.4230000078678131},{"id":"https://openalex.org/keywords/answer-quality","display_name":"answer quality","score":0.5059999823570251},{"id":"https://openalex.org/keywords/web-access","display_name":"web access","score":0.3490000069141388},{"id":"https://openalex.org/keywords/prompt-effects","display_name":"prompt effects","score":0.3700000047683716}],"concepts":[{"id":"https://openalex.org/C154504017","wikidata":"https://www.wikidata.org/wiki/Q853614","display_name":"Identifier","level":2,"score":0.7702000141143799},{"id":"https://openalex.org/C199521495","wikidata":"https://www.wikidata.org/wiki/Q181487","display_name":"Audit","level":2,"score":0.6858999729156494},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6334999799728394},{"id":"https://openalex.org/C2779530757","wikidata":"https://www.wikidata.org/wiki/Q1207505","display_name":"Quality (philosophy)","level":2,"score":0.5332000255584717},{"id":"https://openalex.org/C2775924081","wikidata":"https://www.wikidata.org/wiki/Q55608371","display_name":"Control (management)","level":2,"score":0.520799994468689},{"id":"https://openalex.org/C2780465076","wikidata":"https://www.wikidata.org/wiki/Q1069289","display_name":"Chemical safety","level":2,"score":0.4828000068664551},{"id":"https://openalex.org/C2780009758","wikidata":"https://www.wikidata.org/wiki/Q6804172","display_name":"Measure (data warehouse)","level":2,"score":0.42890000343322754},{"id":"https://openalex.org/C112930515","wikidata":"https://www.wikidata.org/wiki/Q4389547","display_name":"Risk analysis (engineering)","level":1,"score":0.42419999837875366},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3628000020980835},{"id":"https://openalex.org/C24756922","wikidata":"https://www.wikidata.org/wiki/Q1757694","display_name":"Data quality","level":3,"score":0.361299991607666},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.33309999108314514},{"id":"https://openalex.org/C119839945","wikidata":"https://www.wikidata.org/wiki/Q6545185","display_name":"Unique identifier","level":3,"score":0.32499998807907104},{"id":"https://openalex.org/C2781460075","wikidata":"https://www.wikidata.org/wiki/Q1399332","display_name":"Compliance (psychology)","level":2,"score":0.31220000982284546},{"id":"https://openalex.org/C2777267654","wikidata":"https://www.wikidata.org/wiki/Q3519023","display_name":"Test (biology)","level":2,"score":0.2897999882698059},{"id":"https://openalex.org/C12174686","wikidata":"https://www.wikidata.org/wiki/Q1058438","display_name":"Risk assessment","level":2,"score":0.28369998931884766},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.27709999680519104},{"id":"https://openalex.org/C3019659195","wikidata":"https://www.wikidata.org/wiki/Q5690566","display_name":"Meaningful use","level":3,"score":0.25839999318122864},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.25209999084472656}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15011798/v1","doi":"https://doi.org/10.26434/chemrxiv.15011798/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15011798/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15011798/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.15011798/v1","doi":"https://doi.org/10.26434/chemrxiv.15011798/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15011798/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15011798/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/W7225423635.pdf","grobid_xml":"https://content.openalex.org/works/W7225423635.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W4391632220","https://openalex.org/W4392539041","https://openalex.org/W4399317891","https://openalex.org/W4399991953","https://openalex.org/W4403348179","https://openalex.org/W4403995584","https://openalex.org/W4404088867","https://openalex.org/W4404403125","https://openalex.org/W4405025319","https://openalex.org/W4413109285","https://openalex.org/W4413545351","https://openalex.org/W4414818952","https://openalex.org/W4414987658","https://openalex.org/W4415110317","https://openalex.org/W4415795355","https://openalex.org/W4416238424","https://openalex.org/W4416268504","https://openalex.org/W4417258166","https://openalex.org/W6966877473","https://openalex.org/W7090907428","https://openalex.org/W7128378279","https://openalex.org/W7130578567","https://openalex.org/W7131855231","https://openalex.org/W7162134808","https://openalex.org/W7168426291","https://openalex.org/W7172407821","https://openalex.org/W7206164172","https://openalex.org/W7223346582"],"related_works":["https://openalex.org/W7131868786","https://openalex.org/W4405025319","https://openalex.org/W7203476651","https://openalex.org/W7163362892","https://openalex.org/W4410521503","https://openalex.org/W4407423011","https://openalex.org/W7172407821","https://openalex.org/W7160597081","https://openalex.org/W7225408169","https://openalex.org/W7148435653"],"abstract_inverted_index":{"A":[0,135],"language":[1],"model":[2,220],"can":[3],"decline":[4],"a":[5,14,56,215],"chemistry":[6],"question":[7],"for":[8,58,81],"several":[9],"reasons.":[10],"It":[11,185],"may":[12,35],"detect":[13],"safety":[15,42,90,102,171],"concern,":[16],"fail":[17],"to":[18,27,45,182],"identify":[19,111],"the":[20,24,33,118,145,176,179,183],"molecule,":[21],"or":[22,39],"lack":[23],"facts":[25],"needed":[26],"answer.":[28],"When":[29],"it":[30],"does":[31],"answer,":[32],"response":[34],"still":[36],"be":[37],"wrong":[38],"incomplete.":[40],"Chemical":[41],"evaluations":[43],"need":[44],"distinguish":[46],"these":[47,152],"outcomes":[48],"before":[49],"interpreting":[50,219],"differences":[51],"between":[52],"models.":[53],"We":[54,87,163],"propose":[55,164],"framework":[57],"doing":[59],"so,":[60],"using":[61],"established":[62],"practices":[63],"from":[64,137],"cheminformatics:":[65],"verified":[66],"identities":[67],"and":[68,73,77,84,99,107,115,130,178,188],"reference":[69],"answers,":[70],"suitable":[71],"controls":[72,114],"baselines,":[74],"independent":[75],"validation,":[76],"statistics":[78],"that":[79,167],"account":[80],"related":[82],"molecules":[83],"repeated":[85],"measurements.":[86],"examine":[88],"chemical":[89,170],"studies,":[91],"including":[92],"SynthRefusal":[93],"within":[94],"onepot-Bench":[95],"0,":[96],"ChemSafetyBench,":[97],"DualChem,":[98],"broader":[100],"scientific":[101],"benchmarks.":[103],"Eight":[104],"detailed":[105],"audits":[106],"additional":[108],"methods":[109],"readings":[110],"both":[112],"effective":[113],"gaps":[116],"in":[117,128,133,218],"evidence.":[119],"Our":[120],"reanalyses":[121],"reproduce":[122],"large":[123],"effects":[124],"of":[125,148,195],"molecular":[126],"identifiers":[127],"ChemIDBench":[129],"system":[131],"prompts":[132],"XSTest.":[134],"calculation":[136],"DualChem":[138],"shows":[139],"how":[140],"excluding":[141],"tool":[142],"failures":[143],"changes":[144],"apparent":[146],"benefit":[147],"web":[149],"access.":[150],"Because":[151],"studies":[153],"measure":[154],"different":[155],"outcomes,":[156],"we":[157],"do":[158],"not":[159],"pool":[160],"their":[161],"results.":[162],"an":[165],"experiment":[166],"holds":[168],"legitimate":[169],"questions":[172],"fixed":[173],"while":[174],"changing":[175],"identifier":[177],"information":[180],"supplied":[181],"model.":[184],"measures":[186],"refusal":[187],"answer":[189],"quality":[190],"together,":[191],"with":[192],"separate":[193],"judgments":[194],"whether":[196],"withholding":[197],"is":[198],"appropriate.":[199],"Separate":[200],"extensions":[201],"would":[202],"test":[203],"unsafe":[204],"compliance":[205],"and,":[206],"where":[207],"relevant,":[208],"practical":[209],"execution.":[210],"Each":[211],"proposed":[212],"control":[213],"addresses":[214],"specific":[216],"uncertainty":[217],"behavior.":[221]},"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-11-07T00:00:00"}
