{"id":"W2966002744","doi":"10.15278/isms.2019.mh09","title":"THE CONFORMATIONAL LANDSCAPE OF PERILLYL ALCOHOL REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY AND THEORETICAL MODELING","year":2019,"lang":"en","type":"article","venue":"Proceedings of the 74th International Symposium on Molecular Spectroscopy","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Conformational isomerism; Dihedral angle; Chemistry; Spectroscopy; Rotational spectroscopy; Spectrometer; Computational chemistry; Materials science; Physics; Hydrogen bond; Optics; Molecule; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002742367,0.0003096711,0.0003174953,0.00005860615,0.0001889717,0.0001482594,0.0008795969,0.0001496965,0.0005050352],"category_scores_gemma":[0.0001084981,0.000209508,0.0002150976,0.000139447,0.0003144153,0.0001521172,0.0001844014,0.0004334043,0.000005466217],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009079547,"about_ca_system_score_gemma":0.00005865132,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008286926,"about_ca_topic_score_gemma":5.113043e-7,"domain_scores_codex":[0.997535,0.00001405963,0.0005995748,0.0004114448,0.001101996,0.0003379071],"domain_scores_gemma":[0.998801,0.00008499488,0.0004587783,0.0002452142,0.0003214157,0.00008857484],"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":[0.0003854132,0.00003765787,0.003540473,0.00005774742,0.0001250945,3.577868e-7,0.00009716492,0.0002421318,0.7146071,0.2806599,0.0002342504,0.00001264772],"study_design_scores_gemma":[0.00109059,0.000123304,0.0002152602,0.0001487907,0.00004564609,0.00003497508,0.0001297775,0.02191793,0.9602684,0.01534771,0.0004527902,0.0002247801],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9390427,0.0002326574,0.0003368688,0.002585967,0.0002382137,0.0002730654,0.00009356096,0.00002591352,0.05717108],"genre_scores_gemma":[0.9978713,0.0001592658,0.001195618,0.0002253294,0.0000941426,0.00002664192,0.00003121467,0.00003663387,0.0003598509],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2653122,"threshold_uncertainty_score":0.8543487,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002775874661231686,"score_gpt":0.2251722176512637,"score_spread":0.222396342990032,"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."}}