{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":["metaepi_narrow"],"category_scores_codex":[0.0006249475,0.001291577,0.002250888,0.0002268288,0.0007278126,0.0001561431,0.00079592,0.0009025856,0.0008562109],"category_scores_gemma":[0.001196102,0.001097028,0.0004279625,0.0003936174,0.001995219,0.001037169,0.0007885884,0.0008913666,0.00002740539],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002979233,"about_ca_system_score_gemma":0.0002277151,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001536064,"about_ca_topic_score_gemma":0.0000802319,"domain_scores_codex":[0.9946728,0.000002830532,0.001909805,0.001179946,0.001043593,0.001191017],"domain_scores_gemma":[0.9946698,0.001912356,0.001249724,0.001197144,0.0003714539,0.0005995191],"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":[0.002086201,0.001950698,0.01183912,0.005007924,0.001930108,0.0003176767,0.003922435,0.00000821189,0.9072458,0.001181428,0.01282767,0.05168272],"study_design_scores_gemma":[0.001926922,0.0003446623,0.008934328,0.0007369131,0.0001647169,0.0004258663,0.002624175,0.00001789754,0.9656071,0.0002045536,0.01755644,0.001456414],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7382309,0.002878802,1.618467e-7,0.0002132159,0.0001495719,0.0003391162,0.0002166387,0.0002386834,0.257733],"genre_scores_gemma":[0.9819602,0.005509499,0.0001415419,0.0002681459,0.000388075,0.0001314379,0.0001354053,0.0000984712,0.01136722],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2463657,"threshold_uncertainty_score":0.9999836,"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."}}