{"id":"W2072243132","doi":"10.1021/cg700709k","title":"Crystallogenesis of Steroid-Converting Enzymes and Their Complexes: Enzyme–Ligand Interaction Studies and Inhibitor Design Facilitated by Complex Structures","year":2007,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Steroid Chemistry and Biochemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"","keywords":"Steroid; Chemistry; Ligand (biochemistry); Enzyme; Stereochemistry; Solubility; Cofactor; Binding site; Active site; Substrate (aquarium); Combinatorial chemistry; Biochemistry; Receptor; Organic chemistry; Biology","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":[0.0003982615,0.0003261191,0.0003579661,0.0001634017,0.0002308465,0.0004418216,0.0004175565,0.0002270741,0.0008237012],"category_scores_gemma":[0.0003554218,0.0002166868,0.0001950784,0.0004252477,0.0002475209,0.0003751152,0.0002370245,0.0007108468,0.0002879715],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006299798,"about_ca_system_score_gemma":0.0003503404,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002114936,"about_ca_topic_score_gemma":0.002228556,"domain_scores_codex":[0.9998147,0.00005269597,0.00001191183,0.00003188257,0.0000682388,0.00002059383],"domain_scores_gemma":[0.9999043,0.00003156006,0.00001438762,0.00001209806,0.00002584696,0.00001178675],"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":[0.0003494123,0.0002671245,0.001798372,0.0004675658,0.00006609218,0.0002349835,0.0003353873,0.02161046,0.9307684,0.007701742,0.001937228,0.03446326],"study_design_scores_gemma":[0.000101928,0.0002802667,0.001935814,0.00002716032,0.00003416115,0.0001858705,0.000129471,0.06869591,0.9030306,0.001322898,0.02422944,0.00002654302],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9130119,0.01014982,0.0688816,0.0005318422,0.00006926082,0.000118801,0.0008574118,0.0002182553,0.006161161],"genre_scores_gemma":[0.9218362,0.00906611,0.0619096,0.00008169928,0.00002289501,0.0001362145,0.002174362,0.0001452391,0.004627723],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002114936,"threshold_uncertainty_score":0.004570842,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03703331125959344,"score_gpt":0.2724033364849853,"score_spread":0.2353700252253919,"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."}}