{"id":"W2999809938","doi":"10.14288/1.0384604","title":"The discovery of small molecule inhibitors for TOX1 and ERG oncotargets with the development and use of progressive docking PD2.0 approach","year":2019,"lang":"en","type":"article","venue":"cIRcle (University of British Columbia)","topic":"Organic Chemistry Cycloaddition Reactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Docking (animal); Computer science; Chemistry; Medicine","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":[0.0000713597,0.00004630445,0.0001632115,0.000008949657,0.0001964032,0.00006812691,0.0001349173,0.00006247203,0.00001563525],"category_scores_gemma":[0.00001882567,0.0000825282,0.00004197294,0.00007919695,0.0003230411,0.000166718,0.0001172705,0.0000884891,1.427091e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003890182,"about_ca_system_score_gemma":0.0001063862,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00167578,"about_ca_topic_score_gemma":0.008592901,"domain_scores_codex":[0.9993895,0.000009661459,0.0001116583,0.00021674,0.0001452695,0.0001271836],"domain_scores_gemma":[0.9992595,0.0001395859,0.0002408404,0.0001979635,0.0001240485,0.00003806941],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0004456302,0.001253674,0.1771951,0.005095594,0.001800569,0.00005244426,0.007503313,0.00007226367,0.4353001,0.00003358153,0.005864948,0.3653828],"study_design_scores_gemma":[0.004122624,0.0001413153,0.9004979,0.0009221308,0.0002557248,0.0001730306,0.03974622,0.000314763,0.04933131,0.0000487728,0.003867103,0.0005790841],"study_design_candidate":"observational","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9988173,0.0001322562,0.00008829531,0.00005114131,0.00001310913,0.0002234816,0.0001533438,0.00001119238,0.000509869],"genre_scores_gemma":[0.9983454,0.00002614727,0.0008924225,0.000003705348,0.00001066853,0.000002565631,0.00002733106,0.00001051337,0.0006812845],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7233028,"threshold_uncertainty_score":0.479504,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00735131286129596,"score_gpt":0.1603946905484007,"score_spread":0.1530433776871048,"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."}}