{"id":"W2949443073","doi":"10.1002/chin.200807199","title":"ChemInform Abstract: CoMFA and CoMSIA Studies on 1,3‐Bis(benzylidene)‐3,4‐dihydro‐1H‐naphthalen‐2‐one, 2,6‐Bis(benzylidene)cyclohexanone, and 3,5‐Bis(benzylidene)‐4‐piperidone Series of Cytotoxic Compounds.","year":2008,"lang":"en","type":"article","venue":"ChemInform","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Chemistry; Cyclohexanone; Series (stratigraphy); Stereochemistry; Combinatorial chemistry; Information retrieval; Organic chemistry; Computer science; Catalysis","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":[0.0004054155,0.001103794,0.000828674,0.001121393,0.0006187915,0.0005673016,0.0008317232,0.0003793943,0.02338367],"category_scores_gemma":[0.0008269535,0.0002494251,0.0007411551,0.002004575,0.0002614995,0.0004154601,0.0002692811,0.0004409901,0.002663784],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001112943,"about_ca_system_score_gemma":0.0009132879,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006501645,"about_ca_topic_score_gemma":0.008615072,"domain_scores_codex":[0.9996935,0.00006214841,0.00001089204,0.00004102303,0.0001279141,0.00006459536],"domain_scores_gemma":[0.9997208,0.00006300133,0.00005745086,0.00002543235,0.000102888,0.0000304876],"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":[0.01587195,0.001221417,0.003947364,0.005046614,0.001235941,0.001540315,0.0003280931,0.07839804,0.5513452,0.0163951,0.1218134,0.2028565],"study_design_scores_gemma":[0.00156886,0.007197882,0.01284885,0.0001311281,0.001300298,0.001736416,0.0002015639,0.09282211,0.7081392,0.002954089,0.1708745,0.0002250833],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7799639,0.02147618,0.03165754,0.00160984,0.0009448162,0.0002328795,0.03231826,0.006494481,0.125302],"genre_scores_gemma":[0.9207287,0.008558212,0.009714872,0.0003574402,0.0001706979,0.0001464417,0.02483211,0.0004721421,0.03501938],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02338367,"threshold_uncertainty_score":0.07822621,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04948688507722887,"score_gpt":0.2558028139768325,"score_spread":0.2063159288996036,"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."}}