{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001530953,0.0002959125,0.0004467525,0.0002593763,0.0002256135,0.0002615601,0.0003080971,0.0002063335,0.002393637],"category_scores_gemma":[0.0001360557,0.0001978063,0.0002951462,0.0002117597,0.0001395075,0.0001297846,0.0001291282,0.0003740921,0.0004060912],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003147865,"about_ca_system_score_gemma":0.0003369703,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001448238,"about_ca_topic_score_gemma":0.005178929,"domain_scores_codex":[0.9999331,0.00001519579,0.00000469525,0.0000109725,0.00001853525,0.0000175292],"domain_scores_gemma":[0.9999617,0.000007389821,0.000009234836,0.000004329866,0.000008151091,0.000009315374],"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":[0.0008211912,0.0004426223,0.0005568494,0.000427823,0.00004080718,0.0004188302,0.0000687565,0.005606636,0.9705993,0.000638104,0.000518321,0.01986071],"study_design_scores_gemma":[0.0006502717,0.009149926,0.006469495,0.00006531429,0.0002704152,0.001008661,0.0000823288,0.01401172,0.9487879,0.0002532065,0.0191946,0.00005616483],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9777219,0.0103178,0.004188489,0.0002873804,0.0000550833,0.0002658025,0.001394512,0.0001309642,0.005638018],"genre_scores_gemma":[0.9821972,0.007226044,0.00538246,0.00006972448,0.00002130695,0.00008972434,0.001278818,0.00001656724,0.003718168],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002393637,"threshold_uncertainty_score":0.008007526,"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."}}