{"id":"W4392815338","doi":"10.1007/s11696-023-03274-5","title":"5-chloro-3-(2-(2,4-dinitrophenyl) hydrazono)indolin-2-one: synthesis, characterization, biochemical and computational screening against SARS-CoV-2","year":2024,"lang":"en","type":"article","venue":"Chemical Papers","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Canadian Institutes of Health Research; Wistar Institute; Cambridge Crystallographic Data Centre; LifeArc; Bill and Melinda Gates Foundation; Philadelphia Foundation; Canadian Institute for Military and Veteran Health Research; Alexander von Humboldt-Stiftung","keywords":"Tautomer; Chemistry; Docking (animal); Ligand (biochemistry); Receptor; Stereochemistry; Binding site; 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":[0.0000840022,0.0002960311,0.0002304118,0.0001321876,0.00008519047,0.0001725829,0.0002495407,0.0001328154,0.001511952],"category_scores_gemma":[0.00007417357,0.0001112666,0.0001968354,0.0001036326,0.0001195858,0.0001101165,0.0001388127,0.0001967266,0.0004158361],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000233929,"about_ca_system_score_gemma":0.0002867387,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009564862,"about_ca_topic_score_gemma":0.002111602,"domain_scores_codex":[0.9999653,0.000005321647,0.000001442342,0.000008779738,0.00001079764,0.000008261655],"domain_scores_gemma":[0.9999765,0.000004884157,0.000007084313,0.000001890771,0.000003975172,0.000005756058],"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":[0.0005770571,0.0001799711,0.0007793136,0.0005834997,0.00002972823,0.0002016844,0.00003128861,0.03076938,0.9518371,0.001021602,0.0003679641,0.01362132],"study_design_scores_gemma":[0.0002892112,0.002782832,0.003403076,0.00002980225,0.000081302,0.000382869,0.00005306308,0.09377149,0.8862986,0.0003063613,0.0125468,0.00005458692],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9726313,0.002441756,0.01729742,0.0001089218,0.00002664415,0.0001130374,0.0006600551,0.0005212107,0.006199711],"genre_scores_gemma":[0.9859053,0.0009468229,0.01041733,0.00004242712,0.000003487928,0.0000490956,0.0005572758,0.00003497429,0.002043192],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001511952,"threshold_uncertainty_score":0.005057991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03402171976937916,"score_gpt":0.3090258946870701,"score_spread":0.2750041749176909,"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."}}