{"id":"W2313167765","doi":"10.1021/jm201564u","title":"Discovery of<i>cis</i>-<i>N</i>-(1-(4-(Methylamino)cyclohexyl)indolin-6-yl)thiophene-2-carboximidamide: A 1,6-Disubstituted Indoline Derivative as a Highly Selective Inhibitor of Human Neuronal Nitric Oxide Synthase (nNOS) without Any Cardiovascular Liabilities","year":2011,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Nitric Oxide and Endothelin Effects","field":"Medicine","cited_by":40,"is_retracted":false,"has_abstract":true,"ca_institutions":"NeurAxon (Canada)","funders":"","keywords":"Chemistry; Indoline; Thiophene; Derivative (finance); Stereochemistry; Chemical synthesis; Combinatorial chemistry; Organic chemistry; In vitro; 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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001778734,0.000654066,0.002532345,0.0003963357,0.0001053135,0.00001719512,0.0004859082,0.0003993209,0.00006381499],"category_scores_gemma":[0.003259107,0.0005222702,0.001223792,0.0009159144,0.0008607288,0.0004220249,0.0001358237,0.00155119,0.000002672595],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003010824,"about_ca_system_score_gemma":0.001262766,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000349382,"about_ca_topic_score_gemma":0.000002722508,"domain_scores_codex":[0.9944015,0.0002961737,0.002101276,0.0005472226,0.002021719,0.0006321716],"domain_scores_gemma":[0.9948184,0.0007085644,0.001746388,0.0007562272,0.001457424,0.0005129522],"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":[0.005371411,0.001158582,0.01537856,0.001870211,0.002683669,0.001095494,0.001174874,0.00002586657,0.9707509,0.00002676863,0.0001557391,0.0003079076],"study_design_scores_gemma":[0.008434338,0.001840788,0.02319614,0.002067019,0.002799679,0.00202308,0.001629681,0.00001367394,0.9570169,0.0004975339,0.0000789971,0.0004021116],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9925089,0.004187114,0.0003287629,0.00006861934,0.0002462865,0.0004891801,0.00004138472,0.00003636818,0.002093337],"genre_scores_gemma":[0.9967123,0.0003902876,0.001115842,0.0001488434,0.001301129,0.00002327744,0.00001634987,0.00008556637,0.0002063871],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01373396,"threshold_uncertainty_score":0.9997229,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01951640315591072,"score_gpt":0.256836096104448,"score_spread":0.2373196929485372,"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."}}