{"id":"W2079171931","doi":"10.1016/s0960-894x(00)00079-2","title":"Structural comparison between type I and type II antagonists: possible implications in the drug design of AT1 antagonists","year":2000,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":12,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"State Scholarships Foundation; Bristol-Myers Squibb","keywords":"Chemistry; Stereochemistry; Antagonist; Angiotensin II receptor type 1; Agonist; Angiotensin II; Receptor; Biochemistry","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":[0.0005436438,0.0001852706,0.0002728479,0.00004238995,0.0001778776,0.00006145251,0.0009286387,0.00005557236,0.00007801151],"category_scores_gemma":[0.00007882597,0.0001465035,0.00002852092,0.0008860329,0.000219728,0.0001612164,0.0001238155,0.0002566383,0.000005250044],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007720271,"about_ca_system_score_gemma":0.0001824486,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005980265,"about_ca_topic_score_gemma":0.000001193718,"domain_scores_codex":[0.9984361,0.0001599908,0.0004032316,0.0003810252,0.0003575565,0.0002620815],"domain_scores_gemma":[0.9988341,0.0004053984,0.0001341964,0.0004716774,0.0000718728,0.00008273376],"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":[0.0001404634,0.000161069,0.04759096,0.0002168242,0.0001187803,0.00003809233,0.008516976,0.002256548,0.8911524,0.0006870176,0.0121394,0.0369815],"study_design_scores_gemma":[0.002617302,0.0003201743,0.7503619,0.0002751684,0.0001732453,0.0005610366,0.0006776018,0.02942626,0.2074862,0.003373478,0.003464124,0.001263506],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.98027,0.0002869362,0.006668623,0.01232179,0.00008278109,0.0001726363,0.000008566513,0.00003705731,0.0001515924],"genre_scores_gemma":[0.9909513,0.0000252218,0.008183287,0.0006175847,0.0001473033,0.000003548248,0.0000295332,0.00001020809,0.00003202389],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7027709,"threshold_uncertainty_score":0.5974241,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03503183592821673,"score_gpt":0.3069592118627772,"score_spread":0.2719273759345605,"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."}}