{"id":"W4382243359","doi":"10.1021/acs.cgd.3c00372","title":"Revisiting Homochiral<i>versus</i>Heterochiral Interactions through a Long Detective Story of a Useful Azobis-Nitrile and Puzzling Racemate","year":2023,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Concordia University","funders":"European Regional Development Fund; Junta de Extremadura","keywords":"Nitrile; Chemistry; Enantiomer; Crystal structure; Crystal (programming language); Polymer; Crystallization; Stereochemistry; Crystallography; Polymer 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"],"consensus_categories":[],"category_scores_codex":[0.000325494,0.000322548,0.0003910353,0.0002811495,0.0004904129,0.0001036897,0.0002064511,0.0001326582,0.0001459006],"category_scores_gemma":[0.0003776377,0.0003535058,0.0003064804,0.000619648,0.0001820742,0.0005440008,0.0001715396,0.0006627524,0.00001258081],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007914649,"about_ca_system_score_gemma":0.00005795396,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005153763,"about_ca_topic_score_gemma":0.0000123942,"domain_scores_codex":[0.9981211,0.0001795303,0.0004499315,0.0005245385,0.0002586868,0.0004661866],"domain_scores_gemma":[0.9981355,0.000920673,0.000299442,0.0003431089,0.0001795446,0.0001217014],"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":[0.0007325356,0.00008859134,0.000445275,0.000518241,0.000445812,0.0001429881,0.003060762,0.0003388237,0.9914568,0.0002954255,0.0005590225,0.001915743],"study_design_scores_gemma":[0.007652857,0.0006294491,0.002315577,0.003190696,0.001307639,0.0007660037,0.02079056,0.006407707,0.9333242,0.004591383,0.01639098,0.002632929],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9076028,0.0006370799,0.0850854,0.0001073441,0.00034943,0.000325322,0.00009577299,0.0004698686,0.005326916],"genre_scores_gemma":[0.9967902,0.0001298844,0.002242018,0.00003146337,0.0001764127,0.00009078787,0.00004896964,0.00006600258,0.0004242021],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08918739,"threshold_uncertainty_score":0.9998917,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03643436857165837,"score_gpt":0.2778753948777146,"score_spread":0.2414410263060562,"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."}}