{"id":"W4402892953","doi":"10.1016/j.ejmech.2024.116902","title":"Chemical synthesis and enzymatic late-stage diversification of novel pantothenate analogues with antiplasmodial activity","year":2024,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Neurological diseases and metabolism","field":"Neuroscience","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Chemistry; Enzyme; Chemical synthesis; Stereochemistry; Biochemistry; Diversification (marketing strategy); In vitro","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":[0.0003925083,0.0001272836,0.000243143,0.00004347959,0.000034784,0.00002963816,0.0002093041,0.00002351706,0.00005626062],"category_scores_gemma":[0.0006529704,0.00008158397,0.00007486143,0.0001339368,0.0002842911,0.0001238146,0.00005007381,0.0002901462,0.000002278294],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001015337,"about_ca_system_score_gemma":0.00004279335,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001025642,"about_ca_topic_score_gemma":2.1749e-8,"domain_scores_codex":[0.9989029,0.0001067989,0.0002658157,0.0002087086,0.0003761369,0.00013964],"domain_scores_gemma":[0.9990808,0.0003580449,0.0002323045,0.0001136365,0.00004172193,0.0001735166],"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":[0.0003471404,0.0001059889,0.0000656566,0.0002553208,0.00001783475,0.0005818525,0.00009827553,0.00002131625,0.9946897,0.00003345217,0.00003504649,0.003748435],"study_design_scores_gemma":[0.000614729,0.0001255293,0.003315859,0.0003630836,0.0001545901,0.0002676071,0.00004872009,0.000899675,0.9934577,0.00001149433,0.0006346369,0.0001063552],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972099,0.0002602123,0.0005300235,0.0002926472,0.000073916,0.00004062101,0.00003553619,0.00001739475,0.00153977],"genre_scores_gemma":[0.9993486,0.0002430355,0.0001081279,0.00006815103,0.0001516821,4.42131e-7,4.716386e-7,0.00001460797,0.00006491529],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003642079,"threshold_uncertainty_score":0.3326898,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03661151035185641,"score_gpt":0.2472441862748653,"score_spread":0.2106326759230089,"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."}}