{"id":"W2913106082","doi":"10.1016/j.toxicon.2018.10.265","title":"Synthesis of models of the BC ring systems of MPC1001 with nucleophilic protected sulfur regents","year":2019,"lang":"en","type":"article","venue":"Toxicon","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Nucleophile; Sulfur; Ring (chemistry); Chemistry; Stereochemistry; Organic chemistry; Catalysis","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":[0.0001195558,0.0004186388,0.0002708707,0.0002492254,0.0003047777,0.0002521576,0.0006332204,0.0003231773,0.005385401],"category_scores_gemma":[0.0002720221,0.0001494212,0.0001612156,0.0004434579,0.0002317668,0.0003801412,0.0001993442,0.0006150623,0.00105856],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00104998,"about_ca_system_score_gemma":0.0004804407,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001909407,"about_ca_topic_score_gemma":0.002405719,"domain_scores_codex":[0.9999055,0.00001245683,0.000004406129,0.00002350212,0.00003020364,0.00002396708],"domain_scores_gemma":[0.999913,0.0000135407,0.00002105953,0.00001730799,0.00001510682,0.00001998285],"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":[0.000663089,0.0002064187,0.000391539,0.0007838376,0.0000444793,0.0006241454,0.0002292208,0.02109621,0.924306,0.03288075,0.002403921,0.01637037],"study_design_scores_gemma":[0.00003779195,0.0005920773,0.0004880431,0.00001933083,0.00002709754,0.0001722346,0.00005661526,0.01229404,0.9599808,0.001993095,0.02431221,0.00002665714],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9476564,0.001857353,0.02410021,0.0003588522,0.0001090126,0.0001665291,0.002655804,0.0005035518,0.02259236],"genre_scores_gemma":[0.9776339,0.001167243,0.009436995,0.00005288252,0.000008758719,0.0001153781,0.001415846,0.00007049647,0.01009855],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005385401,"threshold_uncertainty_score":0.01801598,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00805152839766302,"score_gpt":0.197050730036286,"score_spread":0.1889992016386229,"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."}}