{"id":"W2015333177","doi":"10.1021/ci700210z","title":"CoMFA and CoMSIA Studies on 1,3-Bis(benzylidene)-3,4-dihydro-1<i>H</i>-naphthalen-2-one, 2,6-Bis(benzylidene)cyclohexanone, and 3,5-Bis(benzylidene)-4-piperidone Series of Cytotoxic Compounds","year":2007,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Steric effects; Stereochemistry; Chemistry; Quantitative structure–activity relationship","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":[0.002833784,0.001800262,0.001990422,0.00215789,0.0006622056,0.001056161,0.001134228,0.00104205,0.005033932],"category_scores_gemma":[0.006023399,0.0004113951,0.003047018,0.002986996,0.0005031027,0.0006516948,0.0004067981,0.0007929032,0.0006852298],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001593817,"about_ca_system_score_gemma":0.001561604,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.03066197,"about_ca_topic_score_gemma":0.0199214,"domain_scores_codex":[0.9990246,0.0005802417,0.00006426081,0.00008974733,0.0001204332,0.0001206203],"domain_scores_gemma":[0.9951541,0.004001306,0.0002566691,0.0001310124,0.0003889341,0.0000678517],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006317527,0.0001693329,0.002469396,0.0004602621,0.0003098414,0.0002681617,0.00009465267,0.9733019,0.004040972,0.002209424,0.001910754,0.01413351],"study_design_scores_gemma":[0.00004692139,0.0002424421,0.001194679,0.00001656644,0.00007310397,0.00006548842,0.00003115146,0.9956421,0.001507618,0.0003088725,0.0008475637,0.00002360575],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8924161,0.002478736,0.08530465,0.000744359,0.0001666502,0.0001553134,0.003881437,0.002716813,0.01213595],"genre_scores_gemma":[0.9766261,0.0007679135,0.01745034,0.0001031616,0.00002853349,0.000205133,0.002615518,0.0001305221,0.002072806],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03066197,"threshold_uncertainty_score":0.06096697,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05176412563297424,"score_gpt":0.2833708674635348,"score_spread":0.2316067418305605,"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."}}