{"id":"W2010256602","doi":"10.1002/chin.200632299","title":"Man, Machine and Visual Imagery in Strategic Synthesis Planning — Computer‐Perceived Precursors for Drug Candidates","year":2006,"lang":"en","type":"article","venue":"ChemInform","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Université du Québec à Montréal","funders":"","keywords":"Chemistry; Service (business); Click chemistry; Combinatorial chemistry; Marketing; Business","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":[0.0004418185,0.0001896877,0.0002328413,0.0001665511,0.00008171122,0.0002260231,0.0003203895,0.00004763136,0.000005337417],"category_scores_gemma":[0.00003243818,0.0001835353,0.00005363458,0.0002254059,0.0000541295,0.0005821335,0.0001797498,0.0001020338,0.000003398293],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007593813,"about_ca_system_score_gemma":0.00007877037,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001677697,"about_ca_topic_score_gemma":0.00003349473,"domain_scores_codex":[0.9988646,0.000005736739,0.0003167579,0.0003350412,0.0001731134,0.0003047751],"domain_scores_gemma":[0.998737,0.0009076041,0.0001004858,0.0001486935,0.00004355792,0.00006267045],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002054825,0.0004827827,0.009750642,0.0009054806,0.0001048296,0.0001088572,0.005523082,0.02288438,0.002502011,0.02206819,0.00883082,0.9266334],"study_design_scores_gemma":[0.0005797456,0.00003681411,0.02946982,0.0001205553,0.000009224035,0.0000281507,0.00009892083,0.9435793,0.01563075,0.009757298,0.0003101265,0.0003792929],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9242806,0.0003569967,0.0544909,0.0003784773,0.0002482481,0.0005215858,0.00003374377,0.0001898847,0.01949957],"genre_scores_gemma":[0.9582523,0.000005062811,0.04108899,0.0001029261,0.0001081947,0.00006628491,0.00004231359,0.00001376236,0.000320127],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9262542,"threshold_uncertainty_score":0.7484354,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01611845627368191,"score_gpt":0.2858319861226322,"score_spread":0.2697135298489503,"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."}}