{"id":"W4393055057","doi":"10.1021/acsptsci.3c00371","title":"Expanding the Chemical Space of Transforming Growth Factor-β (TGFβ) Receptor Type II Degraders with 3,4-Disubstituted Indole Derivatives","year":2024,"lang":"en","type":"article","venue":"ACS Pharmacology & Translational Science","topic":"TGF-β signaling in diseases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Bundesministerium für Bildung und Forschung; Deutsche Forschungsgemeinschaft; Cancer Research Society","keywords":"Pharmacophore; Indole test; Transforming growth factor; Virtual screening; Small molecule; Receptor; Biology; Transforming growth factor beta; Chemistry; Cell biology; Stereochemistry; Cancer research; 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":[],"consensus_categories":[],"category_scores_codex":[0.0001826387,0.0001391838,0.0001030504,0.00007334701,0.0002752627,0.00002354811,0.0003645633,0.00006703784,0.0000876451],"category_scores_gemma":[0.00003345264,0.00009776634,0.00004692243,0.0005662257,0.001141446,0.00003741957,0.00003102954,0.0001290459,0.000002558798],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001906622,"about_ca_system_score_gemma":0.0005712443,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004086894,"about_ca_topic_score_gemma":0.00000210144,"domain_scores_codex":[0.9989002,0.00003466507,0.0001701601,0.0003564676,0.0002852625,0.00025329],"domain_scores_gemma":[0.9995803,0.00008458572,0.00004247146,0.00008360324,0.000129806,0.00007926542],"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":[0.000135121,0.00004301314,0.001230136,0.00002474126,0.00006907755,0.00000146597,0.0008257692,0.0002038059,0.996481,0.0002995552,0.0001145844,0.0005717489],"study_design_scores_gemma":[0.0003216936,0.00009456786,0.001508742,0.00002975099,0.00004066732,0.000008269934,0.00007554753,0.00009082944,0.9961859,0.00005427758,0.001458195,0.000131556],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949298,0.001089893,0.002498911,0.0008728491,0.0002180457,0.000200001,0.00002622796,0.000026656,0.0001376118],"genre_scores_gemma":[0.9985915,0.00004535495,0.001053776,0.00009927971,0.000116767,0.00002003167,0.0000368255,0.00001249864,0.00002394682],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003661716,"threshold_uncertainty_score":0.4205705,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01911298579558852,"score_gpt":0.308710115402976,"score_spread":0.2895971296073875,"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."}}