{"id":"W2107376987","doi":"10.1124/mol.107.041624","title":"A Three-Dimensional Quantitative Structure-Activity Analysis of a New Class of Bisphenol Topoisomerase IIα Inhibitors","year":2007,"lang":"en","type":"article","venue":"Molecular Pharmacology","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":23,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Manitoba","funders":"National Cancer Institute","keywords":"Topoisomerase; Class (philosophy); Bisphenol A; Chemistry; Computational biology; Biochemistry; Biology; Computer science; Enzyme; Artificial intelligence; 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":[0.0001534841,0.0004222089,0.0003834766,0.0003005253,0.0001633265,0.0004711741,0.000382938,0.0001947238,0.001209629],"category_scores_gemma":[0.0002297278,0.0002545791,0.000377805,0.0002683907,0.0001572981,0.0001889561,0.0001014,0.0006772775,0.0001906115],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005465254,"about_ca_system_score_gemma":0.0003726848,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002774617,"about_ca_topic_score_gemma":0.002861788,"domain_scores_codex":[0.999897,0.00001549946,0.000004173048,0.00001756008,0.00005034668,0.000015413],"domain_scores_gemma":[0.9998842,0.00003147097,0.00002955753,0.0000116042,0.00002241565,0.00002069668],"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":[0.0004687508,0.0001322325,0.0006438093,0.00004651107,0.00005184198,0.00004515701,0.0000179975,0.01311413,0.9779372,0.0006668586,0.0002197489,0.006655793],"study_design_scores_gemma":[0.00006874737,0.0005581558,0.002807982,0.000004331636,0.00007525254,0.0001705723,0.00001749286,0.07545543,0.9180319,0.000168372,0.002617019,0.00002474858],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9674852,0.001619521,0.0280102,0.0001919461,0.00001706563,0.0000480735,0.001099417,0.0002727081,0.001255714],"genre_scores_gemma":[0.9683773,0.001721389,0.024366,0.00005204113,0.00001014564,0.00005536105,0.003159411,0.00005267265,0.00220576],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002774617,"threshold_uncertainty_score":0.005516887,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01611191366630773,"score_gpt":0.319153668742169,"score_spread":0.3030417550758613,"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."}}