{"id":"W2898616983","doi":"10.3390/molecules23112859","title":"Amide Activation in Ground and Excited States","year":2018,"lang":"en","type":"article","venue":"Molecules","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Nemzeti Kutatási, Fejlesztési és Innovaciós Alap; Hungarian Scientific Research Fund","keywords":"Amide; Simplicity; Chemistry; Computer science; Excited state; Simple (philosophy); Interpretation (philosophy); Combinatorial chemistry; Biochemical engineering; Computational chemistry; Quantum chemical; Peptide bond; Molecule; Organic chemistry; Epistemology; Physics; Engineering; Philosophy","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":[0.0004263017,0.0002420652,0.000212238,0.000257838,0.0005242744,0.0008352674,0.0004140234,0.0007099521,0.006723416],"category_scores_gemma":[0.00047019,0.0002190511,0.0002834771,0.0001811626,0.0008692833,0.001206394,0.0006105906,0.0007479414,0.0007154615],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004992368,"about_ca_system_score_gemma":0.0001749928,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002191713,"about_ca_topic_score_gemma":0.0001620776,"domain_scores_codex":[0.9998211,0.00003746598,0.000006891964,0.00005134371,0.00004385617,0.00003927958],"domain_scores_gemma":[0.9998226,0.0001034748,0.00001474696,0.0000365153,0.00001115465,0.00001147599],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001686955,0.00007215825,0.0007134082,0.000263768,0.0000212951,0.0004100382,0.0006576547,0.008827812,0.1961926,0.7675013,0.001479947,0.02369119],"study_design_scores_gemma":[0.00008977392,0.0003896934,0.002338153,0.00008471131,0.00002579305,0.0007284647,0.0003898924,0.1413468,0.2052159,0.6238161,0.02548393,0.00009071857],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6337204,0.003246505,0.2240515,0.0008983241,0.0003772332,0.00008154919,0.0003528801,0.0005951846,0.1366765],"genre_scores_gemma":[0.9761786,0.0007037103,0.01463996,0.0001430447,0.00004091314,0.00007628027,0.0001025456,0.00009855654,0.0080163],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006723416,"threshold_uncertainty_score":0.02249205,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005540532369179046,"score_gpt":0.2276329754885009,"score_spread":0.2220924431193219,"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."}}