{"id":"W4241098538","doi":"10.21203/rs.3.rs-198850/v1","title":"Lead optimization of novel quinolone chalcone compounds by a structure-activity relationship (SAR) study to increase efficacy and metabolic stability","year":2021,"lang":"en","type":"preprint","venue":"Research Square","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Health Sciences North","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Chalcone; Chemistry; Tubulin; Apoptosis; Cancer cell; Colchicine; Cancer; Cell cycle checkpoint; Cell cycle; Stereochemistry; Pharmacology; Biochemistry; Cancer research; Microtubule; Biology; Medicine; Cell biology; Internal medicine","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001735207,0.0003710071,0.0009490049,0.000170183,0.0002581491,0.0001762544,0.0004277037,0.0004748456,0.0004408385],"category_scores_gemma":[0.00533753,0.0003167147,0.0001307121,0.0004915158,0.0003088869,0.0001100532,0.001888907,0.001636037,0.00000113224],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001963133,"about_ca_system_score_gemma":0.0002381787,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003674667,"about_ca_topic_score_gemma":0.0002634866,"domain_scores_codex":[0.9958053,0.00102562,0.0004808146,0.0011975,0.0009951502,0.0004956725],"domain_scores_gemma":[0.995446,0.002200807,0.0002349828,0.001121709,0.0007123231,0.0002842266],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.002181769,0.0169764,0.2277438,0.002217221,0.0004889869,0.00001286086,0.001980402,0.001484053,0.7391677,0.00005367674,0.0000678398,0.007625251],"study_design_scores_gemma":[0.002543834,0.0006798895,0.6713995,0.0005728909,0.0001489959,0.000006042342,0.003212625,0.004912635,0.3154609,0.00009072333,0.000112798,0.0008592151],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954008,0.0008687,0.0008069776,0.0002350289,0.00003258436,0.001042173,0.001251802,0.00006055186,0.0003013858],"genre_scores_gemma":[0.9979332,0.00009866143,0.00137823,0.000005041438,0.00009315753,0.00008199891,0.0003446876,0.00003029614,0.00003468956],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4436557,"threshold_uncertainty_score":0.9999285,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1398842938931545,"score_gpt":0.3816312083822773,"score_spread":0.2417469144891228,"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."}}