{"id":"W2313644735","doi":"10.1021/jp301952v","title":"Initial Excited-State Structural Dynamics of Thymine Derivatives","year":2012,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Excited state; Thymine; Dynamics (music); State (computer science); Chemistry; Computational chemistry; Chemical physics; Statistical physics; Physics; Atomic physics; Computer science; Algorithm; DNA; Biochemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.0001507334,0.0002137871,0.0003812338,0.000009514818,0.00008822266,0.000008783089,0.0004237704,0.00005622331,0.0001811421],"category_scores_gemma":[0.00008100073,0.0001400036,0.000210083,0.0001151611,0.0003124743,0.0001667457,0.00006197034,0.0005292002,0.000001140731],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006610058,"about_ca_system_score_gemma":0.00004710621,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004460719,"about_ca_topic_score_gemma":3.837474e-7,"domain_scores_codex":[0.9988217,0.00002064448,0.0003958996,0.00007824096,0.0003356032,0.0003479024],"domain_scores_gemma":[0.9989405,0.0002386625,0.0003304644,0.0002116059,0.0001542974,0.0001244573],"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":[0.000301465,0.0001424763,0.000466852,0.0002541718,0.0002332202,0.000002796424,0.001698623,0.00004421247,0.9959417,0.00003191315,0.00005109852,0.0008314969],"study_design_scores_gemma":[0.0004829,0.00003620661,0.0004566228,0.00006538749,0.0001184767,0.0001311582,0.0005616177,0.00032247,0.996593,0.0009925166,0.00008962953,0.0001500376],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.994202,0.0003503131,0.0001250308,0.000120093,0.00002669063,0.00002126086,0.0000456636,0.00001161632,0.005097288],"genre_scores_gemma":[0.9988849,0.00002900525,0.00001837183,0.00001217547,0.0008060573,0.000001676127,0.000009952309,0.00001670852,0.0002211132],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004876174,"threshold_uncertainty_score":0.5709181,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01099387626495593,"score_gpt":0.2661739977417231,"score_spread":0.2551801214767672,"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."}}