{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001490469,0.0002484421,0.0003197733,0.00003601846,0.00007697278,0.0000186877,0.0004247939,0.0001005463,0.0001004921],"category_scores_gemma":[0.0007703515,0.0002060528,0.0001224444,0.0001728574,0.0004304831,0.00007060898,0.00006419625,0.0002753546,0.00002751414],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004029552,"about_ca_system_score_gemma":0.00002785722,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001017266,"about_ca_topic_score_gemma":9.131429e-8,"domain_scores_codex":[0.9981678,0.0001002455,0.0002862731,0.0005999194,0.0004759616,0.000369865],"domain_scores_gemma":[0.9988899,0.0002316773,0.0002221402,0.0004137706,0.00002318057,0.0002192821],"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":[0.0002744645,0.0002043246,0.000359442,0.00009415831,0.000005688063,0.00001591062,0.00002752273,0.000005499737,0.9969938,0.00003786935,0.0004679071,0.001513377],"study_design_scores_gemma":[0.0006901966,0.00004171952,0.006699797,0.00005185932,0.00004547816,0.00002588513,0.000003782,0.0001148975,0.991703,0.00002537728,0.0004116479,0.000186302],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965792,0.000009279659,0.0003151811,0.002311586,0.0002359249,0.0001492746,0.00003295531,0.00006411382,0.0003025273],"genre_scores_gemma":[0.995436,0.00002816147,0.00002340625,0.004054318,0.0003956505,0.000008109904,0.00000915122,0.00002136792,0.00002388062],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006340355,"threshold_uncertainty_score":0.840259,"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."}}