{"id":"W1940077133","doi":"10.1080/1062936x.2015.1088572","title":"Molecular modelling studies on 2-substituted octahydropyrazinopyridoindoles for histamine H<sub>2</sub>receptor antagonism","year":2015,"lang":"en","type":"article","venue":"SAR and QSAR in environmental research","topic":"Receptor Mechanisms and Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Department of Science and Technology, Ministry of Science and Technology, India; Ottawa Hospital Research Institute","keywords":"Homology modeling; Histamine; Receptor; Antagonism; G protein-coupled receptor; In silico; Chemistry; Histamine receptor; Homology (biology); Binding site; Biochemistry; Pharmacology; Amino acid; Biology; Antagonist; Gene; Enzyme","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":[0.0009945222,0.0001979263,0.0002132545,0.0001270404,0.0001453241,0.0000297919,0.0001508727,0.0001524439,0.000004274236],"category_scores_gemma":[0.00009298175,0.0001854666,0.00006713549,0.00007506386,0.0002551597,0.000009357406,0.0001761633,0.0002077108,0.00001725999],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001180753,"about_ca_system_score_gemma":0.00004391629,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006951371,"about_ca_topic_score_gemma":0.000003558748,"domain_scores_codex":[0.9982462,0.0001300082,0.0002441191,0.0005303686,0.0003995169,0.000449765],"domain_scores_gemma":[0.999471,0.00004718446,0.00004185467,0.0002332534,0.00003258478,0.0001741147],"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":[0.0003154843,0.0001316229,0.0001256346,0.00002462712,0.00004216711,0.00000977491,0.0001935804,0.006532462,0.9899839,0.0002465776,0.0001956266,0.002198542],"study_design_scores_gemma":[0.001117246,0.0006290856,0.00001227348,0.00003370371,0.000006385194,0.000003837946,0.001083539,0.004612541,0.9882954,0.0007305659,0.003262634,0.0002127863],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919898,0.004673094,0.002507632,0.00007303756,0.0001600717,0.0004639562,0.00005262141,0.000006847965,0.00007296445],"genre_scores_gemma":[0.9958665,0.002645115,0.0009263567,0.00006357666,0.0001549066,0.00005807111,0.0001862689,0.00003898683,0.00006026676],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003876677,"threshold_uncertainty_score":0.7563111,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07042194872467117,"score_gpt":0.3293254476381987,"score_spread":0.2589034989135275,"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."}}