{"id":"W1976716149","doi":"10.1002/anie.200790045","title":"Cover Picture: Lock‐and‐Key Principle on a Microscopic Scale: The Case of the Propylene Oxide⋅⋅⋅Ethanol Complex (Angew. Chem. Int. Ed. 13/2007)","year":2007,"lang":"en","type":"paratext","venue":"Angewandte Chemie International Edition","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Conformational isomerism; Cover (algebra); Oxide; Hydrogen bond; Chemistry; Lock (firearm); Ab initio; Propylene oxide; Ethanol; Scale (ratio); Ab initio quantum chemistry methods; Crystallography; Computational chemistry; Physics; Molecule; Organic chemistry; Quantum mechanics; Engineering","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":[0.0003771599,0.0006039762,0.0005121019,0.0001028582,0.000289826,0.0001613051,0.001215186,0.0008415128,0.00973959],"category_scores_gemma":[0.0004240345,0.0004389328,0.0003125528,0.0002028522,0.000653937,0.0001293037,0.000655934,0.001772404,0.0003235085],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007342586,"about_ca_system_score_gemma":0.0003271807,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002825881,"about_ca_topic_score_gemma":0.00007207481,"domain_scores_codex":[0.9967291,0.00004334388,0.0007586572,0.0007886417,0.001122416,0.0005578733],"domain_scores_gemma":[0.9970559,0.0003451942,0.0007436257,0.0009996054,0.0006817885,0.0001738388],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001684484,0.0002454774,0.0001044361,0.0008169556,0.000346055,0.000111925,0.0002107662,0.00002845117,0.4516808,0.00004279851,0.5458919,0.0003519983],"study_design_scores_gemma":[0.000758139,0.00002314798,0.00006330181,0.0005619929,0.00007018074,0.0005550726,0.00006939503,0.00004395749,0.7455041,0.00008350081,0.2519563,0.0003109122],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.4878978,0.002380959,0.0004919992,0.005544293,0.005925313,0.001539764,0.0076108,0.0001646009,0.4884444],"genre_scores_gemma":[0.7728016,0.001661158,0.0002356386,0.001451153,0.01033978,0.0003331791,0.005589655,0.0002100251,0.2073778],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.2939356,"threshold_uncertainty_score":0.9998062,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02052944947021971,"score_gpt":0.3088885564306689,"score_spread":0.2883591069604492,"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."}}