{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000731889,0.0005268764,0.0003915332,0.0002792999,0.0001873164,0.0003324188,0.0005097373,0.000525784,0.00101764],"category_scores_gemma":[0.0007349909,0.0003812528,0.0002376094,0.0001667997,0.000504478,0.0006253163,0.0007674412,0.0009301898,0.0003194161],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002825312,"about_ca_system_score_gemma":0.0003611966,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007525341,"about_ca_topic_score_gemma":0.002165525,"domain_scores_codex":[0.9996569,0.00009533334,0.00001558787,0.00009926931,0.0000902926,0.00004260059],"domain_scores_gemma":[0.9996026,0.0001119731,0.0001213379,0.00006126529,0.00005194373,0.00005087738],"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":[0.0001020092,0.00001162119,0.000185153,0.00005516249,0.000007786026,0.00002559165,0.00002353516,0.0001993473,0.9946015,0.0002805516,0.000106489,0.004401264],"study_design_scores_gemma":[0.00004693602,0.0003081518,0.001309223,0.00001079834,0.00001787978,0.0002827067,0.00004743958,0.008162658,0.9861401,0.0002450139,0.003387334,0.00004170899],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.6710015,0.002544227,0.3200693,0.0004477335,0.0000919271,0.0001436301,0.0004203439,0.001660039,0.003621179],"genre_scores_gemma":[0.6393285,0.001575807,0.3504295,0.0003166005,0.00004789069,0.0001965804,0.0007449468,0.0002725202,0.007087763],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.00101764,"threshold_uncertainty_score":0.003870606,"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."}}