{"id":"W2046611646","doi":"10.1021/jm049637+","title":"Drug Evolution Concept in Drug Design:  1. Hybridization Method","year":2004,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Chemical synthesis and alkaloids","field":"Chemistry","cited_by":114,"is_retracted":false,"has_abstract":true,"ca_institutions":"Biotechnology Research Institute","funders":"","keywords":"Drug; Drug discovery; Computational biology; Biopharmaceutical; Chemistry; Pharmacology; Biology; Genetics; Biochemistry","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":[0.0008678425,0.0005105267,0.0006401095,0.0008781616,0.0004256341,0.0007392192,0.000806344,0.001060274,0.002632147],"category_scores_gemma":[0.0007656486,0.0003559754,0.0006030532,0.000748997,0.002079967,0.0014829,0.001018373,0.001185456,0.0009064573],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008848415,"about_ca_system_score_gemma":0.000573991,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002723503,"about_ca_topic_score_gemma":0.0002154984,"domain_scores_codex":[0.9991921,0.000395399,0.00003791188,0.0001362507,0.0002030796,0.00003529014],"domain_scores_gemma":[0.9997949,0.0001203988,0.00002058221,0.0000277516,0.00002359764,0.00001278695],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000169024,0.0001366445,0.0004912782,0.0008862959,0.00006483039,0.0001901327,0.0002532077,0.01536266,0.06828208,0.6550727,0.002890191,0.2562009],"study_design_scores_gemma":[0.0004713023,0.001973462,0.0008244105,0.0002532146,0.0001724233,0.003080928,0.0001596161,0.1863189,0.1345684,0.4035504,0.2684257,0.000201326],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.006792407,0.005524517,0.9703151,0.0009672756,0.0002351513,0.000197494,0.00004187306,0.0003545837,0.01557158],"genre_scores_gemma":[0.1472119,0.005925352,0.8349658,0.001008931,0.0002523247,0.0008996516,0.00007417603,0.00008699756,0.009574851],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002632147,"threshold_uncertainty_score":0.008805394,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01021848460992046,"score_gpt":0.2588875886465989,"score_spread":0.2486691040366784,"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."}}