{"id":"W2073838467","doi":"10.1002/poc.796","title":"How quickly do knotty molecules lose their energy as they grow?","year":2004,"lang":"en","type":"article","venue":"Journal of Physical Organic Chemistry","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of the Fraser Valley","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Trefoil; Knot (papermaking); Molecule; Molecular dynamics; Potential energy; Computational chemistry; Crystallography; Physics; Quantum mechanics; Organic chemistry; Chemical engineering","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0004333468,0.0001667464,0.0003486531,0.000526376,0.0004486946,0.0007845699,0.0004954844,0.0005047856,0.007224233],"category_scores_gemma":[0.004046976,0.0002032792,0.0002391158,0.0003515998,0.0006645728,0.002537397,0.0004991683,0.0005322582,0.0005411336],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003501154,"about_ca_system_score_gemma":0.0001732624,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00105864,"about_ca_topic_score_gemma":0.000740782,"domain_scores_codex":[0.9998412,0.00001371496,0.00000488961,0.00002508522,0.00004601017,0.00006900979],"domain_scores_gemma":[0.9990619,0.0004631543,0.0001626851,0.00009976706,0.0001082233,0.0001042857],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001651081,0.0005785747,0.08240393,0.001087613,0.0002641421,0.001783793,0.002501921,0.3411185,0.2563202,0.0866117,0.006391258,0.2192874],"study_design_scores_gemma":[0.0001315142,0.001134066,0.08748974,0.0001882352,0.00009807393,0.0009902712,0.002909424,0.7051401,0.1152915,0.07448596,0.01193191,0.0002091424],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.990492,0.0004334231,0.004036606,0.0002288264,0.00002851795,0.00001395212,0.00006533167,0.0001091527,0.004592114],"genre_scores_gemma":[0.9985479,0.000138536,0.0004109124,0.00002517732,0.000004069614,0.00001000705,0.00006199615,0.00003455631,0.0007668802],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007224233,"threshold_uncertainty_score":0.02416748,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002729090892010859,"score_gpt":0.1694315759172683,"score_spread":0.1667024850252574,"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."}}