{"id":"W2033581570","doi":"10.1107/s1600536812038846","title":"<i>N</i>-[2,6-Bis(1-methylethyl)phenyl]pyridine-4-carboxamide","year":2012,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Bombardier (Canada); Université de Montréal","funders":"","keywords":"Ring (chemistry); Pyridine; Dihedral angle; Benzene; Hydrogen bond; Chemistry; Carboxamide; Crystallography; Crystal (programming language); Crystal structure; Bioinformatics; Stereochemistry; Medicinal chemistry; Molecule; Organic chemistry; Computer science","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":[0.0001090171,0.0002803213,0.0003760194,0.0001341286,0.0002218729,0.0002890299,0.0006322857,0.0001750125,0.00486391],"category_scores_gemma":[0.0001404643,0.0001035899,0.00009120549,0.0002522682,0.0002479477,0.0002939521,0.0002193341,0.0003551228,0.001618559],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003348428,"about_ca_system_score_gemma":0.0004919324,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001948309,"about_ca_topic_score_gemma":0.002831567,"domain_scores_codex":[0.9998944,0.0000132477,0.000004638851,0.00002705703,0.00002094397,0.00003970937],"domain_scores_gemma":[0.9999628,0.000003293094,0.00001212597,0.000004783292,0.000004258623,0.00001263658],"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":[0.0013237,0.000185321,0.0004458465,0.001037053,0.00003067003,0.001058043,0.0001239936,0.001339708,0.9112842,0.008899263,0.009703099,0.06456921],"study_design_scores_gemma":[0.0006023484,0.003005904,0.004614561,0.0001159296,0.00006127405,0.003260015,0.0001182056,0.002078771,0.7054108,0.001185828,0.2794734,0.00007288711],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8268329,0.0222366,0.02379628,0.00139171,0.001236545,0.0004439392,0.002158233,0.001881683,0.1200221],"genre_scores_gemma":[0.9498684,0.009114032,0.01373265,0.0005402426,0.0001460775,0.0002412677,0.001100856,0.000100257,0.02515625],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00486391,"threshold_uncertainty_score":0.01627141,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008585602600705719,"score_gpt":0.2400014014951229,"score_spread":0.2314157988944172,"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."}}