{"id":"W3189656834","doi":"10.1016/j.phytochem.2021.112887","title":"Design, synthesis and screening of a drug discovery library based on an Eremophila-derived serrulatane scaffold","year":2021,"lang":"en","type":"article","venue":"Phytochemistry","topic":"Traditional and Medicinal Uses of Annonaceae","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Simon Fraser University; University of Queensland; Canadian Institutes of Health Research; Griffith University; Center for AIDS Research, University of Washington; University of Melbourne; Philadelphia Foundation; Australian Research Council; Wellcome Trust; University of Pennsylvania","keywords":"Amide; EC50; Anthelmintic; Stereochemistry; Chemistry; Chemical synthesis; Carboxylic acid; Diterpene; IC50; Methylation; Biology; In vitro; Biochemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001761118,0.000532049,0.0005786182,0.0006676144,0.0002222302,0.0003967216,0.0004593031,0.0002786663,0.002532031],"category_scores_gemma":[0.000170652,0.0001855482,0.0004309355,0.0004388154,0.0001525144,0.000277882,0.0003455474,0.0003532104,0.0008837432],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001889687,"about_ca_system_score_gemma":0.000398572,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002458894,"about_ca_topic_score_gemma":0.0008230818,"domain_scores_codex":[0.9998904,0.00001764154,0.000008303461,0.00002386468,0.0000285442,0.00003126002],"domain_scores_gemma":[0.999931,0.00001150884,0.00001459036,0.000007204962,0.00001402684,0.00002170183],"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":[0.0003127161,0.0002471722,0.000255093,0.0002601788,0.00003285437,0.0004134064,0.00003875143,0.0018618,0.9719552,0.0005688923,0.0002969517,0.02375689],"study_design_scores_gemma":[0.0002240228,0.003814419,0.001494938,0.00003295169,0.0001293538,0.0005924907,0.00005929342,0.003872657,0.9749829,0.0001895029,0.01457285,0.00003463766],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.924098,0.005237651,0.05360492,0.000416776,0.0001071657,0.001091126,0.00224034,0.0009713427,0.01223266],"genre_scores_gemma":[0.9448953,0.004802714,0.03761439,0.0002534368,0.0000309887,0.0003116523,0.003007731,0.0000445378,0.009039297],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002532031,"threshold_uncertainty_score":0.008470476,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01410705394635072,"score_gpt":0.2248017198816955,"score_spread":0.2106946659353448,"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."}}