{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008184661,0.000197202,0.0004166173,0.00004396096,0.00004418341,0.00001956695,0.000315777,0.0001229331,0.0008217119],"category_scores_gemma":[0.000616672,0.0001677015,0.0001538668,0.000189013,0.00008922305,0.0001447566,0.00003383519,0.0006433293,0.000004158992],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006632124,"about_ca_system_score_gemma":0.0002896673,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006491177,"about_ca_topic_score_gemma":0.000001775546,"domain_scores_codex":[0.9981029,0.0000327093,0.000769484,0.000202711,0.0006215887,0.0002705772],"domain_scores_gemma":[0.9986821,0.0002568515,0.0005084921,0.0001749711,0.0001610363,0.0002165796],"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":[0.0001268806,0.0001735952,0.0003013517,0.0001465922,0.0000320036,0.0001440014,0.0003889127,0.001761105,0.9925119,0.00003049691,0.001386079,0.002997108],"study_design_scores_gemma":[0.001964313,0.00001212674,0.00006752179,0.0007436055,0.00005796701,0.0004616798,0.0008582304,0.000164373,0.9919058,0.002307123,0.001280823,0.0001764063],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9399408,0.003456797,0.04843624,0.0020614,0.0001758309,0.00005787691,0.000006893664,0.00003698741,0.005827141],"genre_scores_gemma":[0.9919806,0.00007604393,0.006405328,0.0000688765,0.0009842869,0.000002601704,0.000006033896,0.00002157067,0.0004546207],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05203981,"threshold_uncertainty_score":0.8997169,"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."}}