{"id":"W1991513676","doi":"10.1139/v04-113","title":"A one-pot synthesis and X-ray crystallographic and computational analyses of methyl-2,4-dimethoxysalicylate a potential anti-tumour agent","year":2004,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Synthesis of Tetrazole Derivatives","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Anisole; Hydrogen bond; Intramolecular force; Yield (engineering); Thermal decomposition; Tetrazole; Decarboxylation; Hydrogen; Medicinal chemistry; Crystallography; Stereochemistry; Molecule; Organic chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"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":[0.0002062635,0.0004064789,0.0005203059,0.0001504974,0.0003039678,0.000301545,0.0005338216,0.0003513202,0.002955135],"category_scores_gemma":[0.0002578704,0.0002189302,0.0002183545,0.0002428542,0.0001684188,0.0002160434,0.0001337781,0.0003567046,0.0001956288],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006000223,"about_ca_system_score_gemma":0.0008543725,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003019753,"about_ca_topic_score_gemma":0.01017442,"domain_scores_codex":[0.9999669,0.000006201533,0.000001679598,0.000005974899,0.00001231793,0.000007002012],"domain_scores_gemma":[0.9999247,0.00003680538,0.00001187541,0.000007484757,0.00001230085,0.000006892007],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001078979,0.001107464,0.005545074,0.001677352,0.0001805414,0.001114398,0.0002680571,0.6722475,0.2389825,0.01539964,0.004193323,0.05820516],"study_design_scores_gemma":[0.001371814,0.001942885,0.004277323,0.00003623272,0.0001438616,0.0002901891,0.0002173942,0.8685217,0.1113883,0.001744968,0.01002873,0.00003649148],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9872981,0.0004816017,0.004899547,0.0001386201,0.00001239939,0.00008063857,0.001056754,0.0002967128,0.005735591],"genre_scores_gemma":[0.9560371,0.001025615,0.03897598,0.00004075455,0.000007352029,0.0001786109,0.001443719,0.00006859412,0.002222199],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003019753,"threshold_uncertainty_score":0.009885907,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02577451195449771,"score_gpt":0.2614685205452898,"score_spread":0.2356940085907921,"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."}}