{"id":"W3040511919","doi":"10.51847/q3egbyl","title":"10.51847/Q3eGByl","year":2000,"lang":"en","type":"article","venue":"Time to knit","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Hydroxychloroquine; Chloroquine; Quinine; Angiotensin-converting enzyme 2; Docking (animal); Coronavirus disease 2019 (COVID-19); Pharmacology; Enzyme; Virology; Antidote; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); 2019-20 coronavirus outbreak; Chemistry; Biology; Medicine; Malaria; Biochemistry; Internal medicine; Immunology; Toxicity; Infectious disease (medical specialty); Veterinary medicine","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.0002646384,0.0001042398,0.0001123004,0.00008027472,0.00006432455,0.000123172,0.0007305482,0.00002684547,0.9213786],"category_scores_gemma":[0.0000382278,0.0001059224,0.00005210352,0.0004354831,0.00001645592,0.000308905,0.0001501151,0.00006288218,0.9699942],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003418587,"about_ca_system_score_gemma":0.00005698695,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000760274,"about_ca_topic_score_gemma":3.291963e-8,"domain_scores_codex":[0.9989793,0.00009753577,0.000144258,0.0003023975,0.0002598425,0.0002166196],"domain_scores_gemma":[0.9992206,0.0001702213,0.0000197737,0.0004209717,0.00004241028,0.0001260678],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00000766668,0.00002528367,6.664475e-8,0.000001345364,0.000005161327,0.000005341173,0.00002270293,0.01334747,0.00001613309,0.000191142,0.009827931,0.9765497],"study_design_scores_gemma":[0.00009272435,0.00005187444,0.0001587071,0.000005609649,0.000002014324,0.0000109329,1.021329e-7,0.06947849,0.00003378666,0.0002340686,0.9297985,0.0001331261],"study_design_candidate":"design_other","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.0007496784,0.0000264277,0.007354479,0.0008815689,0.000007483828,0.0001148228,0.000003149903,0.0002240306,0.9906384],"genre_scores_gemma":[0.0002047495,7.60317e-8,0.03677461,0.0002092648,0.00007169886,0.000009973024,0.000002758495,0.000008897954,0.962718],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.9764166,"threshold_uncertainty_score":0.431939,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01037937517117862,"score_gpt":0.2285376432309198,"score_spread":0.2181582680597411,"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."}}