{"id":"W2069984493","doi":"10.1021/jm201063u","title":"Discovery of<i>N</i>-(3-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)-1<i>H</i>-indol-6-yl) thiophene-2-carboximidamide as a Selective Inhibitor of Human Neuronal Nitric Oxide Synthase (nNOS) for the Treatment of Pain","year":2011,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Nitric Oxide and Endothelin Effects","field":"Medicine","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"NeurAxon (Canada)","funders":"","keywords":"Chemistry; Indole test; Pharmacology; Stereochemistry; Enos; In vivo; Selectivity; Amine gas treating; Nitric oxide synthase; Cytochrome P450; Enzyme; Biochemistry; Medicine","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009743765,0.0002429216,0.0002192513,0.0001247217,0.00009603709,0.00014503,0.0002827101,0.0001879445,0.0009412882],"category_scores_gemma":[0.00007235914,0.00009017765,0.0001468326,0.0001092016,0.0001286409,0.0001450732,0.0001132099,0.000238587,0.0002576335],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001563016,"about_ca_system_score_gemma":0.0002230766,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002888234,"about_ca_topic_score_gemma":0.0008844399,"domain_scores_codex":[0.999971,0.000006155218,0.000002248997,0.000005400617,0.000007465813,0.000007672319],"domain_scores_gemma":[0.999966,0.000003065947,0.00001011872,0.000002186933,0.000007748873,0.00001082813],"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":[0.0002821969,0.0001410202,0.0003224979,0.0001675757,0.00001595022,0.0002852175,0.00003374324,0.0004510606,0.9798109,0.0006021676,0.00023819,0.01764947],"study_design_scores_gemma":[0.0004209436,0.00647686,0.004784826,0.00003989515,0.00008454877,0.001255222,0.00002832505,0.002136623,0.9640318,0.0002445767,0.02047136,0.00002510389],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9711409,0.01017743,0.009411608,0.0002867145,0.00009269394,0.0002259995,0.000545416,0.0001268463,0.007992367],"genre_scores_gemma":[0.9795716,0.00714457,0.009058846,0.0001735852,0.00004317052,0.00008381419,0.0006875215,0.00001731148,0.003219654],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009412882,"threshold_uncertainty_score":0.003148913,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0227746214937459,"score_gpt":0.2759842977211712,"score_spread":0.2532096762274253,"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."}}