{"id":"W2771328279","doi":"10.1107/s2053229617017168","title":"A chiral diamine: practical implications of a three-stereoisomer cocrystallization","year":2017,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Structural Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Diamine; Stereochemistry; Chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00009275405,0.00041772,0.000405813,0.0001328909,0.0009862687,0.0002512409,0.0006346622,0.0004415896,0.001954149],"category_scores_gemma":[0.0003847097,0.0004224809,0.0005177089,0.0002754065,0.000641448,0.0006324628,0.000223425,0.0006376615,3.387233e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007283109,"about_ca_system_score_gemma":0.0001003937,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001827768,"about_ca_topic_score_gemma":0.0002523343,"domain_scores_codex":[0.997812,0.00001968596,0.0006554251,0.0006693854,0.0003833701,0.0004601218],"domain_scores_gemma":[0.9968054,0.000109597,0.0009513156,0.001547698,0.0003544587,0.0002314819],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0001153605,0.00009139256,0.02241074,0.0002263937,0.0002732117,0.000007628075,0.00006209139,0.00001814738,0.9758875,0.0002854826,0.000250405,0.0003716887],"study_design_scores_gemma":[0.007524082,0.0003154635,0.4288608,0.0006729823,0.001477071,0.002562015,0.00125901,0.002559167,0.3164498,0.02650945,0.2073389,0.00447123],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9756467,0.00005167635,0.0008540276,0.001028168,0.0002683201,0.0001639289,0.0002476442,0.000197853,0.02154163],"genre_scores_gemma":[0.9980961,0.00005758155,0.0005358124,0.00003770633,0.0003789399,0.0000838051,0.0003957247,0.00005590713,0.0003583972],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6594376,"threshold_uncertainty_score":0.9998227,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01901790750872081,"score_gpt":0.2888395367606966,"score_spread":0.2698216292519758,"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."}}