{"id":"W2015237399","doi":"10.1107/s1600536814012094","title":"3-Bromo-<i>N</i>-(3,5-di-<i>tert</i>-butylphenyl)propanamide","year":2014,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Benzene; Amide; Hydrogen bond; Residue (chemistry); Molecule; Crystal structure; Ring (chemistry); Crystallography; Chemistry; Dihedral angle; Stereochemistry; Twist; Organic chemistry; Geometry; Mathematics","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":[0.0001853855,0.0003169659,0.0003800995,0.0001796936,0.0002260161,0.0001901006,0.0006189234,0.0001868066,0.005124796],"category_scores_gemma":[0.0001380282,0.0001556202,0.0001032288,0.0002037484,0.0002422594,0.0002235012,0.0001820006,0.0003717337,0.002302487],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003853045,"about_ca_system_score_gemma":0.0006646199,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001607353,"about_ca_topic_score_gemma":0.002626897,"domain_scores_codex":[0.9998492,0.00001723374,0.000007401437,0.00002658235,0.00003601005,0.00006360429],"domain_scores_gemma":[0.9999319,0.00001032178,0.00001317605,0.000008057832,0.000009833562,0.00002670519],"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":[0.0008317907,0.00008764886,0.0002050399,0.0004355513,0.000009905803,0.000257777,0.00004561226,0.0003058085,0.9870995,0.001192105,0.001778607,0.007750765],"study_design_scores_gemma":[0.0002980682,0.001560913,0.002043092,0.00004144118,0.00001469473,0.0006574179,0.00005629452,0.0006789966,0.9381962,0.0001674311,0.0562533,0.00003216025],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8965967,0.009255006,0.0112248,0.0007685342,0.0007076477,0.0002698282,0.003460525,0.001318252,0.07639866],"genre_scores_gemma":[0.9731641,0.003642442,0.00434874,0.0002191859,0.00005586034,0.0001506675,0.001474943,0.00008845147,0.01685552],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005124796,"threshold_uncertainty_score":0.0171442,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005235750134835424,"score_gpt":0.2192211326349491,"score_spread":0.2139853825001136,"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."}}