{"id":"W4390696698","doi":"10.3390/molecules29020343","title":"Mode of Antibacterial Action of Tomatidine C3-Diastereoisomers","year":2024,"lang":"en","type":"article","venue":"Molecules","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada; Mitacs; Cystic Fibrosis Canada; Québec Consortium for Drug Discovery","keywords":"Diastereomer; Mode of action; Action (physics); Mode (computer interface); Stereochemistry; Chemistry; Antibacterial activity; Combinatorial chemistry; Bacteria; Physics; Biology; Biochemistry; Computer science; Genetics; Quantum mechanics","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":[0.00003048619,0.00006562067,0.0001402514,0.00002240572,0.00000861234,0.000008653843,0.00006272624,0.0000657479,0.0005251513],"category_scores_gemma":[0.00003368064,0.00004664984,0.000077577,0.0000503584,0.00004103003,0.00003656615,0.00002641027,0.0000415445,0.000005272951],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009319742,"about_ca_system_score_gemma":0.000009470295,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004539209,"about_ca_topic_score_gemma":0.000004009207,"domain_scores_codex":[0.9995852,0.00001160516,0.0001378097,0.0001155643,0.00007693007,0.00007285956],"domain_scores_gemma":[0.9997671,0.00005990345,0.00004591246,0.00009505593,0.00001453485,0.00001750032],"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":[0.00003263331,0.00005345943,0.0003757225,0.000211313,0.00002969166,0.000001946938,0.00002978567,0.000002689788,0.9585317,0.0001259857,0.00004942764,0.0405556],"study_design_scores_gemma":[0.00005311115,0.00002367891,0.001055872,0.00007893514,0.00001375194,0.000001777039,0.00003652951,0.000569977,0.9972518,0.000147902,0.000714355,0.00005231673],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954205,0.00009483066,0.0001633021,0.00004742363,0.00008005212,0.00001624589,0.00005479593,0.00003618149,0.004086727],"genre_scores_gemma":[0.9995877,0.00003357752,0.0001928713,0.000004151147,0.00006743877,0.000002055964,0.0000104329,0.000005715238,0.00009607188],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04050329,"threshold_uncertainty_score":0.5750039,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02533371254250782,"score_gpt":0.2800866281108932,"score_spread":0.2547529155683854,"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."}}