{"id":"W2127079573","doi":"10.1080/00268970009483391","title":"Test of rate theory transmission coefficient algorithms. An application to ion channels","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"","keywords":"Transition state theory; Transmission coefficient; Correctness; Transmission (telecommunications); Diffusion; Algorithm; Reaction rate constant; Channel (broadcasting); Transition rate matrix; Statistical physics; Ion; Reaction coordinate; Chemistry; Physics; Mathematics; Thermodynamics; Computer science; Statistics; Physical chemistry; Kinetics; Quantum mechanics; Telecommunications","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":[0.01192428,0.00115085,0.0008968778,0.001938899,0.0009848648,0.001750011,0.002537821,0.002600919,0.00301076],"category_scores_gemma":[0.1207362,0.0005162841,0.0009768105,0.001281844,0.001509211,0.004581952,0.002348129,0.002376764,0.0007866459],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001594956,"about_ca_system_score_gemma":0.002683058,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003844325,"about_ca_topic_score_gemma":0.001398821,"domain_scores_codex":[0.9948657,0.002193163,0.0002867018,0.0005976525,0.001810375,0.0002464505],"domain_scores_gemma":[0.9086105,0.07391859,0.003248138,0.006390644,0.007216622,0.000615529],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0008518122,0.0004253934,0.007628965,0.0002242888,0.0002337137,0.0001808214,0.0002572038,0.7198228,0.005601891,0.1390667,0.002836857,0.1228695],"study_design_scores_gemma":[0.00004198662,0.00006890274,0.0002859561,0.00001296151,0.000008823757,0.00006088781,0.00001778682,0.9832792,0.00275337,0.01308129,0.0003757177,0.0000130495],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.06298134,0.0003258776,0.930244,0.0005771096,0.0001343347,0.0001660627,0.0001891576,0.001670231,0.003711851],"genre_scores_gemma":[0.3871295,0.0003031601,0.6090871,0.0001942902,0.0001143344,0.000316091,0.0006308061,0.0006514816,0.001573142],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01192428,"threshold_uncertainty_score":0.06306237,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005670332385056031,"score_gpt":0.2493026259105214,"score_spread":0.2436322935254653,"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."}}