{"id":"W4320060843","doi":"10.3390/ecmc2022-13472","title":"In Silico Fragment-Based Drug Design and Molecular Docking of Tranilast Analogues as Potential Inhibitors of Transforming Growth Factor- β Receptor Type 1","year":2022,"lang":"en","type":"article","venue":"ECMC 2022","topic":"TGF-β signaling in diseases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"In silico; Tranilast; Docking (animal); Drug; Chemistry; Computational biology; Pharmacology; Biology; Biochemistry; Medicine; Gene","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003528831,0.001226676,0.001901944,0.0007061132,0.0002497175,0.0006305889,0.0010058,0.000605683,0.004274544],"category_scores_gemma":[0.0006424059,0.0004201492,0.001196256,0.000703453,0.0002005656,0.0002756381,0.0004163797,0.0004960544,0.0004678323],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006592878,"about_ca_system_score_gemma":0.001141176,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005941455,"about_ca_topic_score_gemma":0.008577198,"domain_scores_codex":[0.9998448,0.00004823998,0.000009427773,0.00002958586,0.00003223931,0.00003572768],"domain_scores_gemma":[0.9998255,0.0000971594,0.00002428056,0.000006726592,0.00002742928,0.00001884092],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001030594,0.0003200306,0.00226276,0.0005076217,0.0002636059,0.0003504294,0.00003393677,0.9592618,0.01568754,0.001194611,0.001064408,0.01802266],"study_design_scores_gemma":[0.0002338632,0.0006596318,0.0006514621,0.00002069094,0.0001711068,0.00007137535,0.0000318136,0.9904509,0.00554901,0.000278648,0.001863683,0.00001782356],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.916708,0.004395909,0.05775311,0.0003619815,0.0000940001,0.0005188038,0.005261345,0.001689592,0.01321737],"genre_scores_gemma":[0.9254832,0.002573699,0.06236442,0.0001456124,0.00001543882,0.0006534164,0.005818791,0.0001207342,0.002824553],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005941455,"threshold_uncertainty_score":0.01429981,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006070877306697947,"score_gpt":0.2228268162653047,"score_spread":0.2167559389586067,"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."}}