{"id":"W2162163389","doi":"10.1111/cbdd.12480","title":"Ranking the Binding Energies of p53 Mutant Activators and Their ADMET Properties","year":2014,"lang":"en","type":"article","venue":"Chemical Biology & Drug Design","topic":"Cancer-related Molecular Pathways","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Alberta Cancer Foundation; Allard Foundation; Western Canada Research Grid","keywords":"Mutant; Mechanism of action; Chemistry; Small molecule; Activator (genetics); Binding site; Computational biology; Biology; Biochemistry; Gene; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003957502,0.0001635364,0.0003433329,0.00005705762,0.00006058904,0.000006664227,0.000125108,0.0001557213,0.00001306664],"category_scores_gemma":[0.0004014841,0.00008587199,0.00007527145,0.0001281052,0.0005095227,0.00002237549,0.00007760225,0.000243431,0.000003177736],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004000086,"about_ca_system_score_gemma":0.00005958583,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001457784,"about_ca_topic_score_gemma":3.962306e-7,"domain_scores_codex":[0.9990861,0.0001511675,0.0002153525,0.0002513535,0.00006668756,0.0002293127],"domain_scores_gemma":[0.9992061,0.0003370964,0.00009503589,0.0002544985,0.00004586731,0.00006141683],"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":[0.0001932461,0.00002261365,0.0002095203,0.00003052948,0.00009402144,0.000001114027,0.0006499194,0.000006704442,0.9922294,0.0001973551,0.0001300306,0.00623555],"study_design_scores_gemma":[0.0006299796,0.0000895535,0.00002727906,0.0001244055,0.0000581517,0.00004022259,0.000215649,0.0003555716,0.9966591,0.0003039789,0.001396418,0.00009966178],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995312,0.00146144,0.002021339,0.0006129042,0.00009241274,0.0002567608,0.000003444169,0.00005100194,0.0001887144],"genre_scores_gemma":[0.9991052,0.0001078869,0.000416001,0.000209344,0.00008448745,0.00002696829,0.00000776868,0.00001999848,0.00002237113],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006135888,"threshold_uncertainty_score":0.3501758,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02113042160824988,"score_gpt":0.2235643091394845,"score_spread":0.2024338875312346,"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."}}