{"id":"W7081913483","doi":"10.1002/slct.202501856","title":"Design, Synthesis, In Silico, and In Vitro Study of Substituted Phenyl Thiazole‐Pyrimidine/Pyridine Containing Derivatives as Anticancer Agents","year":2025,"lang":"en","type":"article","venue":"ChemistrySelect","topic":"Geochemistry and Geologic Mapping","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"Rajiv Gandhi University of Health Sciences","keywords":"Erlotinib; ADME; Epidermal growth factor receptor; In silico; Cytotoxicity; hERG; EGFR inhibitors; Protein Data Bank (RCSB PDB); Docking (animal); MTT assay","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":[0.0002842555,0.0003525554,0.0004288046,0.0002507147,0.0001430649,0.0003314492,0.0004792938,0.0002946432,0.001864195],"category_scores_gemma":[0.0002975199,0.0001929841,0.0003616866,0.0003341913,0.0001294044,0.0002227035,0.0001669757,0.0004216979,0.0006234691],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003118594,"about_ca_system_score_gemma":0.0003853256,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009376853,"about_ca_topic_score_gemma":0.002229067,"domain_scores_codex":[0.9998517,0.00003156643,0.00001388194,0.00002593263,0.00005495469,0.00002196546],"domain_scores_gemma":[0.9998957,0.00001531158,0.00003261384,0.00001054833,0.00002872581,0.00001708114],"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":[0.0004737999,0.0004042397,0.0005624652,0.0009111428,0.0000661313,0.0005464827,0.00005722997,0.01019282,0.9672994,0.0005517071,0.0003870488,0.01854739],"study_design_scores_gemma":[0.0002113378,0.006057254,0.001717067,0.00006139374,0.000180104,0.0006855302,0.00006042244,0.01144554,0.9647151,0.0001058703,0.01471828,0.00004202927],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9607533,0.01329609,0.01461836,0.0002049157,0.00009274573,0.0006069243,0.001853817,0.0002383358,0.008335554],"genre_scores_gemma":[0.9663808,0.008096902,0.02013064,0.0000720895,0.00001932604,0.0001794642,0.001166995,0.00003603663,0.003917684],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001864195,"threshold_uncertainty_score":0.006236374,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02414532442933275,"score_gpt":0.2709021782796765,"score_spread":0.2467568538503437,"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."}}