{"id":"W2019282404","doi":"10.1016/j.carres.2012.12.017","title":"Sialyltransferase inhibitors: consideration of molecular shape and charge/hydrophobic interactions","year":2013,"lang":"en","type":"article","venue":"Carbohydrate Research","topic":"Glycosylation and Glycoproteins Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":32,"is_retracted":false,"has_abstract":false,"ca_institutions":"Institute for Biological Sciences","funders":"","keywords":"Chemistry; Moiety; Stereochemistry; Cytidine; Molecule; Amide; Peptide bond; Substrate (aquarium); Hydrophobic effect; Aryl; Combinatorial chemistry; Enzyme; Biochemistry; Organic chemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.0004585759,0.0001207662,0.000140853,0.00025986,0.0001401794,0.00008905925,0.0001245357,0.0001181441,0.0004576443],"category_scores_gemma":[0.000245637,0.0001157733,0.00005925699,0.0003216368,0.0002722245,0.00001791277,0.0001169428,0.0002709197,0.000088438],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002024647,"about_ca_system_score_gemma":0.0001432636,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002764324,"about_ca_topic_score_gemma":0.00003336808,"domain_scores_codex":[0.9983884,0.0002840217,0.0002562613,0.0003459181,0.000379535,0.0003458902],"domain_scores_gemma":[0.9987391,0.00004914987,0.00003247727,0.0003233923,0.0006745685,0.0001813255],"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":[0.00003141235,0.00005408611,0.0003058022,0.00003662431,0.00002755976,0.000005539843,0.00006562885,0.00001007265,0.9963889,0.0002527082,0.001020432,0.001801295],"study_design_scores_gemma":[0.0003896672,0.0002289223,0.0002728834,0.00002398048,0.000003676307,0.000006408914,0.00009479615,0.001889811,0.9944349,0.0002966922,0.00224296,0.000115279],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962622,0.0005756229,0.00008040109,0.0009001627,0.00005378155,0.0006592448,0.000009889305,0.000009526163,0.001449184],"genre_scores_gemma":[0.9986785,0.0002435047,0.00008916095,0.00005318511,0.0001000861,0.0001631298,0.00006677809,0.00002322801,0.0005824369],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002416303,"threshold_uncertainty_score":0.5010884,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02817403733232707,"score_gpt":0.3250907980295251,"score_spread":0.2969167606971981,"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."}}