{"id":"W2056332396","doi":"10.1021/jm701020f","title":"SALMON: Solvent Accessibility, Ligand binding, and Mapping of ligand Orientation by NMR Spectroscopy","year":2007,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":67,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Knut och Alice Wallenbergs Stiftelse; Karolinska Institutet; Stiftelsen för Strategisk Forskning; Ontario Genomics Institute; Ontario Genomics; Genome Canada; Ontario Innovation Trust; Wellcome Trust; GlaxoSmithKline","keywords":"Chemistry; Ligand (biochemistry); Nuclear magnetic resonance spectroscopy; Solvent; Stereochemistry; Two-dimensional nuclear magnetic resonance spectroscopy; Orientation (vector space); Spectroscopy; Crystallography; Biochemistry; Receptor; Geometry","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":[0.0007007009,0.000113042,0.0002039502,0.00003216422,0.00003625336,0.00001262132,0.0001281875,0.0001177197,0.00001430563],"category_scores_gemma":[0.00004257357,0.00009732741,0.00006955491,0.00007020513,0.000079993,0.000006224208,0.00004206864,0.0001511245,1.317848e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003356117,"about_ca_system_score_gemma":0.0000913613,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000422215,"about_ca_topic_score_gemma":0.000001782241,"domain_scores_codex":[0.9989743,0.000007862827,0.0004314948,0.0001528235,0.0002684117,0.0001651537],"domain_scores_gemma":[0.9991558,0.00001505417,0.0004418136,0.0001208101,0.0001310367,0.0001354998],"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":[0.0002484237,0.00005692421,0.002224332,0.0001018026,0.00006296011,0.000009813843,0.0001133152,5.684735e-7,0.9948064,0.000002697726,0.0005199873,0.001852758],"study_design_scores_gemma":[0.001024639,0.0003762095,0.0006257119,0.0001196325,0.00004780128,0.0001674465,0.0005658168,0.000003645888,0.9924773,0.0001190453,0.004382772,0.00008996523],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900066,0.003758421,0.005496741,0.0001221083,0.0001561481,0.0000464102,0.000006742904,0.000001643405,0.000405222],"genre_scores_gemma":[0.9976324,0.001030425,0.0005773354,0.00008734484,0.0004915657,5.42229e-7,0.00001282761,0.0000107752,0.0001567655],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007625855,"threshold_uncertainty_score":0.3968897,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01160485788414352,"score_gpt":0.2956494184443493,"score_spread":0.2840445605602058,"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."}}