{"id":"W2464362473","doi":"10.1016/j.bmcl.2016.07.025","title":"Chemical synthesis, pharmacological evaluation and in silico analysis of new 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole derivatives as potential anti-mitotic agents","year":2016,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Instituto Nacional de Ciência e Tecnologia de Gestão da Inovação em Doenças Negligenciadas; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Allard Foundation; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Canadian Cancer Society","keywords":"Chemistry; Colchicine; Moiety; Tubulin; Stereochemistry; Pyrazole; Cytotoxicity; Docking (animal); Mechanism of action; Biological activity; Microtubule; In vitro; In silico; Biochemistry","routes":{"ca_aff":true,"ca_fund":true,"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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0004384359,0.0003423079,0.0007373856,0.00008455447,0.00005031695,0.00001806474,0.000376423,0.0002750051,0.009759331],"category_scores_gemma":[0.001086761,0.0002247254,0.0001928182,0.0004356823,0.0003892811,0.0001010133,0.0001616843,0.0002212914,0.00001004105],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002286269,"about_ca_system_score_gemma":0.00008899876,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008408252,"about_ca_topic_score_gemma":0.000001599532,"domain_scores_codex":[0.9975388,0.00007890489,0.0005730971,0.0007198687,0.000662873,0.0004264637],"domain_scores_gemma":[0.9986414,0.0004667066,0.0002996717,0.0002767369,0.00005090013,0.0002645787],"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":[0.0001729451,0.0002329887,0.0293298,0.00005501939,0.0005440557,0.00003126623,0.00005330863,0.000003583337,0.9606987,5.022213e-7,0.0001934858,0.008684398],"study_design_scores_gemma":[0.001048823,0.000008712893,0.05383744,0.0001276316,0.001272007,0.00002258659,0.0001341767,0.0002294593,0.9429486,0.00001525953,0.00007389808,0.0002813447],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9963668,0.0002052705,0.0000432788,0.002860595,0.00004141039,0.0001117643,0.00002445428,0.00004030374,0.0003061254],"genre_scores_gemma":[0.9991435,0.0001820545,0.00004761139,0.00026914,0.0002549476,0.00002124468,0.00002581644,0.000016537,0.00003917224],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02450763,"threshold_uncertainty_score":0.9911459,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02528215668527806,"score_gpt":0.2834099454545994,"score_spread":0.2581277887693213,"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."}}