{"id":"W3091860695","doi":"10.1039/d0nj04587j","title":"Mixed<i>N</i>-aryl/alkyl substitution favours an unusual tautomer of near-infrared absorbing azacalixphyrins","year":2020,"lang":"en","type":"article","venue":"New Journal of Chemistry","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Nautical Research Society","funders":"Agence Nationale de la Recherche","keywords":"Chemistry; Tautomer; Alkyl; Aryl; Substitution (logic); Infrared; Medicinal chemistry; Stereochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.00009854401,0.0001659791,0.0001250108,0.0001026284,0.0001520765,0.0001896807,0.0002012978,0.0001672092,0.001286643],"category_scores_gemma":[0.0001448244,0.0001001586,0.00008144473,0.0000814852,0.0002143416,0.0001892881,0.0001430821,0.0002856979,0.0002048461],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001473852,"about_ca_system_score_gemma":0.000108842,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001599182,"about_ca_topic_score_gemma":0.0002717307,"domain_scores_codex":[0.999934,0.00001287184,0.000004449058,0.00001505729,0.0000151823,0.00001853454],"domain_scores_gemma":[0.9999368,0.00001810441,0.00001785786,0.00001003232,0.000007809271,0.00000923554],"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":[0.0001224872,0.00001270696,0.0002116218,0.00004217073,0.000004152245,0.000163314,0.00002899834,0.0001678776,0.9971818,0.0004441531,0.00003786347,0.001582913],"study_design_scores_gemma":[0.000008473414,0.0001732687,0.001173822,0.000003267216,0.000008597121,0.0001946194,0.00001493803,0.000558727,0.9970789,0.00005875997,0.0007227686,0.000003926657],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967781,0.0001230006,0.001064579,0.0000371389,0.000005215918,0.000006244185,0.00003380329,0.00002837919,0.001923506],"genre_scores_gemma":[0.9984062,0.0001055792,0.0009376612,0.000009969422,0.000002481846,0.000007112272,0.00002741763,0.00001076205,0.0004927443],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001286643,"threshold_uncertainty_score":0.00430429,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03380862471774247,"score_gpt":0.25441480070105,"score_spread":0.2206061759833076,"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."}}