{"id":"W2030787636","doi":"10.1016/j.bmcl.2014.06.013","title":"Stereochemical modification of geminal dialkyl substituents on pantothenamides alters antimicrobial activity","year":2014,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Neurological diseases and metabolism","field":"Neuroscience","cited_by":22,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Chemistry; Diastereomer; Geminal; Stereochemistry; Antimicrobial; Antibacterial activity; Stereoisomerism; Combinatorial chemistry; Chemical synthesis; Yeast; Staphylococcus aureus; Bacteria; Biochemistry; In vitro; Organic chemistry; Catalysis","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001099366,0.0002333037,0.0001448069,0.0001207367,0.0001178678,0.0001594679,0.0002709551,0.0002476923,0.004075279],"category_scores_gemma":[0.0002332564,0.0001075108,0.0001581751,0.0001486348,0.0002517392,0.0002578579,0.0001478161,0.000431613,0.0006115375],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002741688,"about_ca_system_score_gemma":0.0002809477,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008051236,"about_ca_topic_score_gemma":0.001149998,"domain_scores_codex":[0.9999117,0.00001535896,0.000007828088,0.00001566238,0.00001408074,0.00003540694],"domain_scores_gemma":[0.999874,0.00002403306,0.0000315551,0.00002429184,0.00001953153,0.00002655235],"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":[0.000636366,0.00002647717,0.0002248043,0.00002209809,0.000006924909,0.00007632093,0.00001793622,0.0001946002,0.9961621,0.0004531974,0.0000472357,0.002131999],"study_design_scores_gemma":[0.00003985208,0.0003235447,0.001381104,0.000003064388,0.00001767563,0.00007177561,0.00001903539,0.0004142837,0.9965714,0.0001042206,0.001046038,0.00000792849],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966287,0.0001255784,0.001088992,0.00008742089,0.00003179007,0.00001427585,0.0002022628,0.00004842582,0.001772482],"genre_scores_gemma":[0.9986106,0.0001080554,0.0004240301,0.00003806156,0.000004770177,0.000005061153,0.00009807096,0.00001472943,0.0006965084],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004075279,"threshold_uncertainty_score":0.01363319,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02849913421269233,"score_gpt":0.2547887084946429,"score_spread":0.2262895742819505,"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."}}