{"id":"W2059720052","doi":"10.6026/97320630010652","title":"Structure based virtual screening of ligands to identify cysteinyl leukotriene receptor 1 antagonist","year":2014,"lang":"en","type":"article","venue":"Bioinformation","topic":"Advanced Biosensing Techniques and Applications","field":"Biochemistry, Genetics and Molecular Biology","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Institute of Genetics","keywords":"Zafirlukast; Montelukast; Leukotriene receptor; Virtual screening; Antagonist; PubChem; Pharmacology; Leukotriene; Chemistry; Leukotriene E4; Receptor; Ligand (biochemistry); Medicine; Asthma; Stereochemistry; Biochemistry; Internal medicine","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001071364,0.00009150905,0.00008811909,0.00005436747,0.00007927905,0.00002012581,0.0001108938,0.000101019,0.000005856225],"category_scores_gemma":[0.00006055757,0.00008642309,0.00004285617,0.0001245603,0.00003179227,0.00001006095,0.00004772116,0.00003805252,0.000005630747],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009223606,"about_ca_system_score_gemma":0.00002066428,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005167744,"about_ca_topic_score_gemma":0.000004133519,"domain_scores_codex":[0.9994258,0.000008720487,0.0002304704,0.000121704,0.0001035367,0.000109821],"domain_scores_gemma":[0.9994411,0.000006114076,0.0001333041,0.0002633131,0.0001047617,0.00005135603],"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":[0.00003810652,0.000006617377,0.0000838799,0.00001092472,0.000003952284,1.483423e-8,0.00002064853,0.00040252,0.978037,0.0003921699,0.001359334,0.01964481],"study_design_scores_gemma":[0.0002149931,0.0002212811,0.0008427789,0.0000198938,0.000004702233,0.000001651943,0.00002973361,0.002422616,0.9493415,0.00002952466,0.04676034,0.0001110273],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4962865,0.000005653154,0.5031058,0.0001414276,0.0000433418,0.00014476,0.00005721788,0.00002720504,0.0001881556],"genre_scores_gemma":[0.939456,0.000004068106,0.05944997,0.0002823994,0.00009595865,0.000006755585,0.0006458831,0.00000874766,0.00005022334],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.4436558,"threshold_uncertainty_score":0.3524231,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00779094139701068,"score_gpt":0.2766909135374365,"score_spread":0.2688999721404258,"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."}}