{"id":"W4416357255","doi":"10.1021/acs.jmedchem.5c03093","title":"Structural Biology Enabling Drug Discovery","year":2025,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Genetics, Bioinformatics, and Biomedical Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Discovery Centre","funders":"","keywords":"","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":[0.0006172148,0.0001478854,0.0002601735,0.00007254464,0.00006751236,0.0000335023,0.0004635341,0.0001872843,0.00004759575],"category_scores_gemma":[0.0008615853,0.0001062703,0.000157153,0.0001234033,0.0003028527,0.000008628004,0.0001604456,0.0003668771,0.000001734921],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003534971,"about_ca_system_score_gemma":0.0004582564,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006384892,"about_ca_topic_score_gemma":0.000001902606,"domain_scores_codex":[0.9986321,0.00003324064,0.000563513,0.0001543698,0.0003182597,0.0002985619],"domain_scores_gemma":[0.9990473,0.00004744236,0.0002370909,0.0002219445,0.0002704854,0.0001757708],"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":[0.0002372421,0.00003463951,0.003066448,0.0002449473,0.00015279,0.00001651933,0.00005699209,0.000009142624,0.971471,0.00002629143,0.01172799,0.012956],"study_design_scores_gemma":[0.001695954,0.0002792128,0.001092967,0.0002218494,0.00006746935,0.000191501,0.0009929034,0.00009862673,0.9257966,0.0008519579,0.06851286,0.000198046],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9874982,0.004219888,0.002257386,0.001421605,0.0006028146,0.00005696206,0.00001023506,0.000003719433,0.003929229],"genre_scores_gemma":[0.9939602,0.001043172,0.0005814434,0.0004352205,0.00111345,0.000001195646,0.00003341482,0.000007594076,0.002824321],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05678487,"threshold_uncertainty_score":0.4333575,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01063305936200721,"score_gpt":0.3011242197480959,"score_spread":0.2904911603860887,"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."}}