{"id":"W3178613530","doi":"10.1158/1538-7445.am2021-1377","title":"Abstract 1377: Volume scanning, a rational approach to covalent PI3Kα inhibitors","year":2021,"lang":"en","type":"article","venue":"Cancer Research","topic":"Cancer Treatment and Pharmacology","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"","keywords":"PI3K/AKT/mTOR pathway; Chemistry; Covalent bond; Selectivity; Rational design; Combinatorial chemistry; Biochemistry; Kinase; Target protein; Stereochemistry; Biophysics; Nanotechnology; Signal transduction; Biology; Materials science; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001924986,0.0005091805,0.0002974512,0.0002095108,0.0001614569,0.0003178022,0.0005447413,0.0001975976,0.003600986],"category_scores_gemma":[0.000166272,0.0001757101,0.0001827503,0.0002338607,0.000261917,0.0003991756,0.0003605966,0.0005658622,0.001066357],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003571124,"about_ca_system_score_gemma":0.000285503,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002630043,"about_ca_topic_score_gemma":0.0005431481,"domain_scores_codex":[0.9998385,0.0000202014,0.000009134978,0.00004080273,0.00006761464,0.00002376859],"domain_scores_gemma":[0.9999571,0.000008672341,0.00001580418,0.000005822346,0.000006810895,0.000005768085],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0003516067,0.0003077943,0.0002605776,0.0004937788,0.00003398996,0.0002622702,0.00007143218,0.01316937,0.9164801,0.01259214,0.001984062,0.053993],"study_design_scores_gemma":[0.000113498,0.001788322,0.000317051,0.00002612542,0.00003052252,0.0002974811,0.0000177332,0.008518653,0.9580942,0.0015444,0.02923107,0.00002095317],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"other","genre_scores_codex":[0.7763835,0.01246655,0.1534448,0.001127071,0.0003772453,0.001119942,0.001212524,0.001504738,0.05236369],"genre_scores_gemma":[0.9577868,0.005752282,0.02677622,0.0002280426,0.00006167667,0.000206468,0.0003480264,0.00009469061,0.008745887],"genre_candidate":"other","genre_consensus":null,"teacher_disagreement_score":0.003600986,"threshold_uncertainty_score":0.01204652,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1462639111395096,"score_gpt":0.4690487802446619,"score_spread":0.3227848691051523,"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."}}