{"id":"W4386757090","doi":"10.1158/2159-8290.cd-23-0536","title":"Which Small Molecule? Selecting Chemical Probes for Use in Cancer Research and Target Validation","year":2023,"lang":"en","type":"article","venue":"Cancer Discovery","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ontario Institute for Cancer Research","funders":"Cancer Research UK; Wellcome Trust; American Association for Cancer Research","keywords":"Computer science; Computational biology; Data science; Identification (biology); Small molecule; Protein function; Drug discovery; Biochemical engineering; Bioinformatics; Biology; Biochemistry; Engineering","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000181586,0.0001094795,0.0001280541,0.00004651978,0.0001178511,0.0001354384,0.0001305547,0.0001094807,0.00005636565],"category_scores_gemma":[0.0001997736,0.0001159282,0.00002661126,0.0006066622,0.00005415523,0.0001898069,0.00009208228,0.0002467527,0.000002175398],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001794973,"about_ca_system_score_gemma":0.0001712095,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004694776,"about_ca_topic_score_gemma":0.0004527746,"domain_scores_codex":[0.9989092,0.000008855666,0.0001790235,0.0004147966,0.0001340433,0.0003540984],"domain_scores_gemma":[0.999272,0.000298017,0.00004542156,0.000191073,0.0001353742,0.00005806721],"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":[0.00004944633,0.00005049432,0.02459474,0.0003683654,0.00001696439,6.844712e-7,0.000163943,0.0002272174,0.9722926,0.0001404135,0.001669355,0.0004257931],"study_design_scores_gemma":[0.0003553578,0.000004397938,0.0005471605,0.0001531514,0.0000080536,7.626315e-7,0.0001758262,0.001255346,0.9950882,0.0008586203,0.00141112,0.0001419761],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998009,0.0001558192,0.00006727823,0.0007343497,0.00002365993,0.0001867581,0.000204527,0.00005952498,0.0005591254],"genre_scores_gemma":[0.9935609,0.000251067,0.0001326925,0.00002132742,0.0002777952,0.002156881,0.0002476327,0.00002819243,0.003323586],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02404758,"threshold_uncertainty_score":0.4727415,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.112746321210405,"score_gpt":0.381513505112511,"score_spread":0.268767183902106,"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."}}