{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005591415,0.0002403931,0.0002358557,0.0001703548,0.0006178542,0.001171474,0.0005272949,0.0005552851,0.001720277],"category_scores_gemma":[0.0008048514,0.0002509199,0.0001474148,0.0001471945,0.001608483,0.002752959,0.0006607415,0.002297535,0.0005282696],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005162602,"about_ca_system_score_gemma":0.0002444453,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004645738,"about_ca_topic_score_gemma":0.0007598657,"domain_scores_codex":[0.9998599,0.00002911009,0.000004069952,0.00003260073,0.00005207487,0.00002219106],"domain_scores_gemma":[0.9998417,0.00007729581,0.00001943282,0.00002512694,0.00001815953,0.00001826318],"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":[0.0003392772,0.0001148106,0.001686392,0.0005529253,0.00005206917,0.001445396,0.002637582,0.004085241,0.6890879,0.1934851,0.0175039,0.08900933],"study_design_scores_gemma":[0.00002920413,0.0003350249,0.001867265,0.0001459488,0.00004774989,0.001209631,0.001480597,0.01827507,0.6522233,0.05428239,0.2699848,0.0001189862],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7773797,0.05919089,0.06796788,0.02801384,0.001931226,0.00003749991,0.0004967267,0.001470695,0.06351153],"genre_scores_gemma":[0.9543684,0.01852771,0.01704489,0.001632486,0.00036387,0.00002915286,0.000200309,0.0003840265,0.007449183],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001720277,"threshold_uncertainty_score":0.005754888,"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."}}