{"id":"W2785596612","doi":"10.1021/acs.biochem.7b01297","title":"Activity of Topotecan toward the DNA/Topoisomerase I Complex: A Theoretical Rationalization","year":2018,"lang":"en","type":"article","venue":"Biochemistry","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Türkiye Bilimsel ve Teknolojik Araştırma Kurumu","keywords":"Topoisomerase; Chemistry; DNA; Stereochemistry; Hydrogen bond; Active site; Topotecan; DNA supercoil; Biochemistry; Enzyme; Molecule; Biology; DNA replication; Organic chemistry; Genetics","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":[0.0001184986,0.00009817587,0.00008515875,0.000009024968,0.0000688921,0.00001360195,0.000177615,0.0001038369,0.0002019467],"category_scores_gemma":[0.00003785026,0.00007754166,0.00006773252,0.0000674931,0.0003953316,0.000001570776,0.00007430928,0.00004454842,0.000003313966],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001322183,"about_ca_system_score_gemma":0.00009508785,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007607798,"about_ca_topic_score_gemma":0.00000425999,"domain_scores_codex":[0.9993957,0.00002621751,0.0001185922,0.0002018983,0.0001287311,0.0001288871],"domain_scores_gemma":[0.9994226,0.000009516993,0.00007295352,0.0003216607,0.0001295185,0.00004374113],"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":[0.0001015403,0.0000437618,0.00003024838,0.00001476093,0.00003017612,1.859801e-7,0.00005190133,9.333249e-7,0.9917462,0.005747673,0.0005685938,0.001664066],"study_design_scores_gemma":[0.0002402591,0.0001278251,0.0001896642,0.000005988626,0.00001527538,0.000006778161,0.00005224616,0.0001829539,0.9919921,0.001326114,0.005762788,0.00009799358],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9860455,0.0001084124,0.01027738,0.001045401,0.0001139223,0.0001138043,0.00004511185,0.000009085387,0.002241332],"genre_scores_gemma":[0.9985975,0.00003262032,0.0002046396,0.0004037922,0.0004701935,0.00001299311,0.00007828332,0.00001172815,0.0001882688],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01255193,"threshold_uncertainty_score":0.3162057,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01785260785213929,"score_gpt":0.2787324090534382,"score_spread":0.2608798012012989,"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."}}