{"id":"W2003995048","doi":"10.1016/j.bmc.2004.03.063","title":"Design and synthesis of methyl 2-methyl-7,7-dihalo-5-phenyl-2-azabicyclo[4.1.0]hept-3-ene-4-carboxylates with calcium channel antagonist activity","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":14,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Stereochemistry; Moiety; Calcium channel; Antagonist; Substituent; Nitrendipine; Nifedipine; Bioisostere; Methyl group; Dihydropyridine; Calcium; Chemical synthesis; Medicinal chemistry; In vitro; Alkyl; Receptor; Biochemistry; Organic chemistry","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003984071,0.0004928166,0.0006212115,0.00004749594,0.0001787558,0.00003590866,0.0003195383,0.000350426,0.00003307909],"category_scores_gemma":[0.0002249093,0.0003847163,0.0001222837,0.0002036694,0.000543273,0.00001922038,0.0001436636,0.0002342822,0.000001888625],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004944677,"about_ca_system_score_gemma":0.000315348,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002204857,"about_ca_topic_score_gemma":0.000009877518,"domain_scores_codex":[0.9979981,0.00007333354,0.0003582994,0.0007003414,0.0003729978,0.0004968961],"domain_scores_gemma":[0.9986743,0.0001244554,0.0002932374,0.0005275045,0.0001386091,0.0002418908],"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":[0.00045606,0.0002711416,0.0002047746,0.0002927054,0.0002127288,0.00001661859,0.0001077553,0.00003015089,0.9961207,0.00001119414,0.00009964621,0.002176537],"study_design_scores_gemma":[0.001076206,0.0003364971,0.001034285,0.0002122429,0.0002053869,0.0001271348,0.0004405977,0.0000409635,0.9953834,0.0001073563,0.0005606372,0.0004753076],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9866209,0.002881713,0.008637101,0.000734021,0.00009940244,0.0002390963,0.00005076887,0.00003975822,0.0006972124],"genre_scores_gemma":[0.9968334,0.0005721374,0.001636642,0.0001033783,0.0005178256,0.00003856421,0.00002405157,0.00006930914,0.0002046611],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0102125,"threshold_uncertainty_score":0.9998605,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01455650296980178,"score_gpt":0.2328963768488073,"score_spread":0.2183398738790055,"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."}}