{"id":"W1883078956","doi":"10.1002/chir.22013","title":"Resolution of 2‐chloromandelic acid with (<i>R</i>)‐(+)‐N‐benzyl‐1‐phenylethylamine: chiral discrimination mechanism","year":2012,"lang":"en","type":"article","venue":"Chirality","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; Western University","funders":"","keywords":"Chemistry; van der Waals force; Hydrogen bond; Supramolecular chemistry; Intermolecular force; Diastereomer; Crystallography; Solvophobic; Stereochemistry; Crystal structure; Molecular model; 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":[0.0000896554,0.0003620155,0.000194891,0.00007919255,0.0001253591,0.0002299888,0.000276347,0.0002979434,0.0003410345],"category_scores_gemma":[0.0001566712,0.0001203931,0.0001504695,0.0001013692,0.0001824699,0.0002194498,0.000149694,0.0003637766,0.0001820452],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002194452,"about_ca_system_score_gemma":0.0002687579,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001322549,"about_ca_topic_score_gemma":0.001114564,"domain_scores_codex":[0.9999179,0.00001538142,0.000005422035,0.00001794207,0.00001706244,0.0000264248],"domain_scores_gemma":[0.9999074,0.000013452,0.00003532127,0.00001136592,0.00001278275,0.00001977032],"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":[0.00003036677,0.000002943671,0.0000581746,0.00001085137,0.000001234762,0.00005559891,0.000008754801,0.00004888404,0.9992518,0.0000577014,0.000008450815,0.0004652563],"study_design_scores_gemma":[0.000004193419,0.00003264572,0.0002285829,0.000001098424,0.000001607403,0.0000786556,0.000006853515,0.0002419826,0.9990946,0.00001236829,0.000295255,0.000002229773],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9936594,0.00062186,0.00367537,0.00007695015,0.00001588471,0.00001956704,0.0001060758,0.00004707117,0.00177786],"genre_scores_gemma":[0.9936767,0.0003804706,0.004693464,0.00002664266,0.000004930315,0.000009468331,0.0001075247,0.00001712621,0.00108361],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001322549,"threshold_uncertainty_score":0.002629757,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01468929515700905,"score_gpt":0.2434296242065056,"score_spread":0.2287403290494965,"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."}}