{"id":"W4393934834","doi":"10.1021/acsmedchemlett.4c00054","title":"Fitting of <i>k</i><sub>inact</sub> and <i>K</i><sub>I</sub> Values from Endpoint Pre-incubation IC<sub>50</sub> Data","year":2024,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Protein purification and stability","field":"Biochemistry, Genetics and Molecular Biology","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Incubation; Incubation period; Chemistry; IC50; Enzyme; Biochemistry; In vitro","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002347053,0.002315451,0.001342701,0.001795879,0.0003192581,0.001040652,0.001623013,0.001316189,0.004806508],"category_scores_gemma":[0.006672954,0.0006822041,0.002526256,0.002549712,0.0004254681,0.001313703,0.0009000894,0.00277622,0.004222367],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008536942,"about_ca_system_score_gemma":0.001273313,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002177223,"about_ca_topic_score_gemma":0.002013042,"domain_scores_codex":[0.9979698,0.0002235801,0.0002468367,0.0004835529,0.0008831109,0.0001931247],"domain_scores_gemma":[0.9983287,0.0005345281,0.0002306815,0.0003826036,0.000487384,0.00003613983],"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":[0.002486708,0.001256635,0.01683652,0.003044201,0.0009654338,0.0008010291,0.001469424,0.06882189,0.6889527,0.005293644,0.01625991,0.1938119],"study_design_scores_gemma":[0.00008186507,0.001236464,0.01624634,0.00015651,0.0003290876,0.0008314567,0.0003008489,0.2202056,0.7331932,0.003138573,0.02392134,0.0003586637],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2442675,0.002567481,0.69234,0.0006486448,0.0005131775,0.0008886345,0.0157341,0.02162859,0.02141192],"genre_scores_gemma":[0.6719711,0.004675261,0.2703525,0.001075038,0.00006640459,0.002339283,0.02996647,0.004519979,0.01503391],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004806508,"threshold_uncertainty_score":0.01607943,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01245304097670251,"score_gpt":0.2496488952977743,"score_spread":0.2371958543210718,"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."}}