{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004379045,0.00006005551,0.00006288213,0.0000266337,0.00002477059,0.00001735675,0.00004227762,0.00004886316,0.00001715347],"category_scores_gemma":[0.00004874405,0.0000536519,0.00002146832,0.00006743055,0.00006525767,0.000002015964,0.00003750057,0.00002251512,0.000003033607],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000005375511,"about_ca_system_score_gemma":0.000004729122,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007860155,"about_ca_topic_score_gemma":0.00008589868,"domain_scores_codex":[0.9996018,0.00001664464,0.00007994663,0.000164266,0.00004294483,0.00009439344],"domain_scores_gemma":[0.9998282,0.000007811402,0.00002220611,0.00009222529,0.00002279976,0.00002676818],"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":[0.00001739275,0.00001780619,0.00199125,0.000003315071,0.00001419145,4.039194e-7,0.00002139507,0.00000260136,0.9938251,0.00003730664,0.0002025309,0.003866721],"study_design_scores_gemma":[0.0001544547,0.00004707677,0.01611366,0.0000105559,0.000006829663,7.506185e-7,0.00004371506,0.0004298458,0.9773722,0.0004933518,0.005233328,0.00009427727],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972429,0.0001185827,0.001843469,0.0002057696,0.000006475509,0.00002655619,0.000001747337,0.000004319561,0.000550192],"genre_scores_gemma":[0.9992456,0.00006019147,0.000207021,0.0002221328,0.00006848417,0.000004264044,0.00004522286,0.000006541414,0.0001405338],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01645293,"threshold_uncertainty_score":0.2187861,"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."}}