{"id":"W3199642536","doi":"10.26434/chemrxiv.12612026.v1","title":"Dynamic Chiral Cyclohexanohemicucurbit[12]uril","year":2020,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"European Regional Development Fund; Horizon 2020 Framework Programme","keywords":"Crystallography; Monomer; Flexibility (engineering); Chemistry; Computer science; Materials science; Physics; Stereochemistry; Mathematics; 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":[0.00008985757,0.0003168819,0.0001972887,0.0001098885,0.0002459567,0.0003350686,0.0003144335,0.0001946626,0.008737372],"category_scores_gemma":[0.0001442014,0.0001150117,0.00005990329,0.0001588254,0.0002248068,0.0002956184,0.0002502299,0.0004896793,0.001173367],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003165428,"about_ca_system_score_gemma":0.0001831656,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001372195,"about_ca_topic_score_gemma":0.001429727,"domain_scores_codex":[0.9999045,0.0000159968,0.00000301488,0.00002407256,0.00002071511,0.00003170199],"domain_scores_gemma":[0.9999443,0.000008171301,0.00001163795,0.000009244854,0.000008617752,0.00001802059],"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":[0.001195681,0.0001895073,0.0003775285,0.0004770097,0.000023749,0.0003612465,0.0001508865,0.004076348,0.9487262,0.00684696,0.00494243,0.03263244],"study_design_scores_gemma":[0.0001010928,0.0005784479,0.0006293062,0.00004016131,0.0000119342,0.0001284243,0.00004540521,0.00504165,0.9608674,0.0002576957,0.03226234,0.00003607406],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.948139,0.002464461,0.005788342,0.0004167516,0.0002718786,0.00008093172,0.0009122411,0.0005717166,0.04135475],"genre_scores_gemma":[0.9873093,0.0009417695,0.002375493,0.0002170719,0.00003608134,0.0000521549,0.0004896541,0.0001521041,0.008426395],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008737372,"threshold_uncertainty_score":0.02922946,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01854508023849535,"score_gpt":0.2897368199161847,"score_spread":0.2711917396776893,"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."}}