{"id":"W2914274194","doi":"10.1021/acs.joc.9b00066","title":"Acceptor Influence on Thiolate Sensing by Hemicyanine Dyes","year":2019,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge; University of Guelph","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation; University of Lethbridge; Ontario Innovation Trust","keywords":"Chemistry; Nucleophile; Electrophile; Regioselectivity; Adduct; Moiety; Reactivity (psychology); Photochemistry; Medicinal chemistry; Stereochemistry; Organic chemistry; Catalysis","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002790893,0.0003706047,0.0001614208,0.00009754643,0.0001096652,0.0002269412,0.0002053777,0.0002325167,0.0008791747],"category_scores_gemma":[0.0003266503,0.0001418477,0.000099752,0.0001139448,0.0002067804,0.0002263897,0.0001692432,0.000345377,0.0001831188],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001632143,"about_ca_system_score_gemma":0.0001284746,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004144222,"about_ca_topic_score_gemma":0.0008660866,"domain_scores_codex":[0.9998497,0.00003814457,0.000009417764,0.00003352889,0.00003991764,0.00002923875],"domain_scores_gemma":[0.9998149,0.00007389332,0.00004765709,0.00001159174,0.00002885481,0.00002307295],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000510746,0.000003835924,0.00009502008,0.00001165264,0.000001803372,0.00001344672,0.00001133029,0.00004621957,0.999386,0.00001932874,0.000004122425,0.0003561607],"study_design_scores_gemma":[0.000001064562,0.00005646428,0.0002971966,6.032544e-7,0.00000237168,0.00001823982,0.000004642045,0.0001999532,0.9993117,0.000004457919,0.0001019179,0.000001465361],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975817,0.0002192559,0.001544896,0.00001809841,0.000004280203,0.000006873669,0.00004885198,0.00002513972,0.0005508373],"genre_scores_gemma":[0.9981824,0.0002224729,0.001052313,0.00001293412,0.000002462008,0.000005413792,0.00006752364,0.00001062159,0.0004438301],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008791747,"threshold_uncertainty_score":0.002941132,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002885692257210484,"score_gpt":0.1903036873916824,"score_spread":0.187417995134472,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}