{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001987104,0.0008610401,0.0009183463,0.0009553469,0.0006409013,0.003020691,0.0010662,0.001735661,0.01275686],"category_scores_gemma":[0.003705096,0.0006620753,0.0008459211,0.0006782137,0.002719952,0.004339353,0.002184997,0.005140835,0.004779596],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001390932,"about_ca_system_score_gemma":0.001792015,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005032253,"about_ca_topic_score_gemma":0.0006057739,"domain_scores_codex":[0.9991065,0.0003045575,0.00003930335,0.000129656,0.000313361,0.0001066741],"domain_scores_gemma":[0.998353,0.0007633769,0.0001278885,0.0003588174,0.0002101137,0.0001868476],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001878247,0.0002482485,0.0005311709,0.0007822971,0.0001066224,0.000227714,0.0001837785,0.004946343,0.0335923,0.8039063,0.02973221,0.1255553],"study_design_scores_gemma":[0.0001636168,0.0003169825,0.0004342578,0.0002587175,0.00006835865,0.0004015856,0.00007979978,0.008405628,0.02076582,0.6103799,0.3586846,0.00004075619],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"review","genre_scores_codex":[0.05366552,0.1524976,0.3925623,0.1478284,0.01353234,0.000489209,0.002228421,0.004365844,0.2328304],"genre_scores_gemma":[0.5566878,0.1373212,0.2260366,0.02282001,0.008464881,0.0005466323,0.002841086,0.0005799818,0.04470179],"genre_candidate":"review","genre_consensus":null,"teacher_disagreement_score":0.01275686,"threshold_uncertainty_score":0.04267591,"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."}}