{"id":"W2078641102","doi":"10.1016/s0223-5234(00)00123-9","title":"Anticonvulsant properties of various acetylhydrazones, oxamoylhydrazones and semicarbazones derived from aromatic and unsaturated carbonyl compounds","year":2000,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":278,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Saskatchewan","funders":"National Institute of Neurological Disorders and Stroke; University of Utah","keywords":"Chemistry; Hydrogen bond; Molecule; Anticonvulsant; Stereochemistry; Atomic charge; Computational chemistry; Carbonyl group; Hydrogen; Organic chemistry; Medicinal 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":[],"consensus_categories":[],"category_scores_codex":[0.0009077745,0.0002385739,0.0005094645,0.0000660503,0.00007545066,0.00009038971,0.000585818,0.00003894217,0.0000208138],"category_scores_gemma":[0.0001589605,0.0001849906,0.000065603,0.000194165,0.000343654,0.0003053703,0.0001554335,0.0003449571,0.000001506255],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002564767,"about_ca_system_score_gemma":0.0001226641,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002525316,"about_ca_topic_score_gemma":5.485905e-7,"domain_scores_codex":[0.9978182,0.0004128325,0.0007717082,0.0002778652,0.0005185453,0.0002008919],"domain_scores_gemma":[0.9986422,0.0002709875,0.0004671695,0.0002752044,0.0001358418,0.0002086091],"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":[0.0001591011,0.0000929267,0.0005746628,0.0001961488,0.0001743032,0.0003999622,0.003077673,0.0005009243,0.9687778,0.00001369346,0.00004229963,0.02599046],"study_design_scores_gemma":[0.008208931,0.0009612773,0.1183811,0.005331182,0.0005612166,0.009529628,0.001405169,0.08411694,0.7666289,0.00279429,0.0007114401,0.00137],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900358,0.005760258,0.002845546,0.0005556623,0.0001158242,0.00006036499,0.000003459106,0.00002552799,0.0005975949],"genre_scores_gemma":[0.9899307,0.0004076182,0.009330518,0.00009431481,0.0001781176,4.053555e-7,0.000002163444,0.00001925037,0.00003687703],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.202149,"threshold_uncertainty_score":0.7543697,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01287825657797628,"score_gpt":0.2156579954718311,"score_spread":0.2027797388938548,"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."}}