{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001201456,0.0004315162,0.001074969,0.0002342659,0.0002019393,0.0001527987,0.0002365978,0.0003781548,0.00003597659],"category_scores_gemma":[0.0008639117,0.0003364455,0.000185415,0.0001668074,0.0003665516,0.001380234,0.0002334226,0.0006164722,9.033002e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001012186,"about_ca_system_score_gemma":0.00007669227,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000023096,"about_ca_topic_score_gemma":0.000006764581,"domain_scores_codex":[0.9967461,0.000041383,0.00190051,0.0002591395,0.0006325081,0.0004203531],"domain_scores_gemma":[0.9968141,0.0009502172,0.001163033,0.0002314427,0.0004975511,0.0003436587],"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":[0.001396201,0.0002817975,0.001862606,0.0008138472,0.0003699702,0.00001573456,0.001124141,0.0009465445,0.9864472,0.000691451,0.000125137,0.005925344],"study_design_scores_gemma":[0.003153541,0.0004866613,0.0003961874,0.001312903,0.0002404934,0.0005801293,0.004771391,0.01691585,0.9678871,0.001365174,0.001998431,0.0008921353],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944801,0.002302975,0.0008548548,0.0003415349,0.0001125859,0.0001118717,0.00003292961,0.00003999345,0.001723107],"genre_scores_gemma":[0.9952149,0.002480011,0.001675917,0.000337701,0.0002207787,0.000004317918,0.00001519336,0.00001948917,0.00003165924],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01856012,"threshold_uncertainty_score":0.9999087,"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."}}