{"id":"W2036828080","doi":"10.1107/s160053680704696x","title":"(<i>R</i>)-Phenylethylammonium (<i>R</i>)-4-chloromandelate","year":2007,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Enantiomer; Diastereomer; Hydrogen bond; Crystal structure; Crystallography; Chemistry; Stereochemistry; Optically active; Intermolecular force; Molecule; 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":[0.0001466926,0.0004002361,0.0003314028,0.0001128806,0.0001554886,0.0001871946,0.0003629369,0.0002253355,0.002905525],"category_scores_gemma":[0.0002401789,0.0001692753,0.0001347483,0.0001532711,0.000161314,0.0002126334,0.000222211,0.0004910151,0.001702593],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003535271,"about_ca_system_score_gemma":0.0004167141,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001549192,"about_ca_topic_score_gemma":0.001626458,"domain_scores_codex":[0.999886,0.0000172949,0.000008367647,0.00002597362,0.00002254846,0.00003979479],"domain_scores_gemma":[0.9999046,0.00001371263,0.00002450359,0.00001645381,0.00001600584,0.00002470094],"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":[0.000235309,0.00001778595,0.00007154529,0.00004928776,0.000004449707,0.00004941904,0.000009826213,0.00007277267,0.9969506,0.0001172636,0.0001229739,0.002298809],"study_design_scores_gemma":[0.00006144211,0.0003297291,0.0004663443,0.000005477404,0.000006949835,0.0001689767,0.000009003117,0.0002256434,0.9936823,0.0000330417,0.005004039,0.000006999035],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9694014,0.002507868,0.01118291,0.0003433089,0.0001395308,0.00015615,0.001133293,0.000824279,0.01431134],"genre_scores_gemma":[0.9745375,0.00152445,0.01087253,0.0002061573,0.00002767867,0.00009342995,0.001147993,0.0001747497,0.01141555],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002905525,"threshold_uncertainty_score":0.009719908,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005797648438532676,"score_gpt":0.2307526287468588,"score_spread":0.2249549803083262,"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."}}