{"id":"W4282574367","doi":"10.1021/acs.jmedchem.1c02226","title":"Rationally Designed Amanitins Achieve Enhanced Cytotoxicity","year":2022,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Silymarin and Mushroom Poisoning","field":"Medicine","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Canadian Cancer Society Research Institute; Canadian Institutes of Health Research","keywords":"Cytotoxicity; Chemistry; Cytotoxic T cell; HeLa; Natural product; HEK 293 cells; Peptide; Structure–activity relationship; Combinatorial chemistry; In vitro; Biochemistry; Stereochemistry; Gene","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0007473107,0.0001336782,0.0003629525,0.00006666654,0.0001748581,0.000009907389,0.0001849547,0.00005536265,0.002660181],"category_scores_gemma":[0.0004492942,0.0001158341,0.0001710352,0.0001685184,0.00006840737,0.0000622135,0.00006762882,0.000832063,0.000003408927],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003009389,"about_ca_system_score_gemma":0.0006238765,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004288118,"about_ca_topic_score_gemma":4.681011e-7,"domain_scores_codex":[0.9981109,0.00004818856,0.0005245563,0.0001345193,0.0009771748,0.000204591],"domain_scores_gemma":[0.9988042,0.0001381945,0.0004380418,0.0001475023,0.0002310955,0.0002409476],"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":[0.001165739,0.0002209855,0.000786153,0.00008880323,0.0001112049,0.0005292612,0.000427762,0.00004830732,0.9917066,0.00002116535,0.003389219,0.00150476],"study_design_scores_gemma":[0.007052871,0.001873206,0.009608753,0.0003197415,0.0003705712,0.01168745,0.004517576,0.0001232786,0.957582,0.000233828,0.006364782,0.0002659721],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9771708,0.0003926155,0.001634507,0.002031478,0.0002501043,0.00009441681,0.000003869271,0.00001876061,0.01840344],"genre_scores_gemma":[0.9946971,0.0000319289,0.0009692556,0.001357166,0.00108175,0.000008014723,0.00001221275,0.0000176738,0.001824924],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03412467,"threshold_uncertainty_score":0.9982515,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01310537518011159,"score_gpt":0.2637314764766433,"score_spread":0.2506261012965317,"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."}}