{"id":"W2053115401","doi":"10.1021/jm9015729","title":"Synthesis and Antitumor Activity of a Novel Series of 6-Substituted Pyrrolo[2,3-<i>d</i>]pyrimidine Thienoyl Antifolate Inhibitors of Purine Biosynthesis with Selectivity for High Affinity Folate Receptors and the Proton-Coupled Folate Transporter over the Reduced Folate Carrier for Cellular Entry","year":2010,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Folate and B Vitamins Research","field":"Medicine","cited_by":65,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Cancer Institute; Canadian Institutes of Health Research","keywords":"Chemistry; Antifolate; Pyrimidine; Purine; Selectivity; Stereochemistry; Purine metabolism; Chemical synthesis; Biochemistry; Combinatorial chemistry; Antimetabolite; In vitro; Enzyme; Organic chemistry; Toxicity","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":[0.00008722682,0.0003706745,0.0003275084,0.0002000226,0.0001111266,0.0001773568,0.000275408,0.0002231096,0.001084682],"category_scores_gemma":[0.00007905975,0.0001478021,0.0001999729,0.0001683128,0.000115088,0.0001784079,0.0001012097,0.0003319049,0.000308855],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002380988,"about_ca_system_score_gemma":0.0001921685,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005215406,"about_ca_topic_score_gemma":0.001212307,"domain_scores_codex":[0.9999511,0.000007088344,0.000005080984,0.000009877541,0.000009574243,0.00001729932],"domain_scores_gemma":[0.9999498,0.000005160454,0.00001562811,0.0000054476,0.00000796747,0.000015917],"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":[0.0004138096,0.0002257721,0.0002784021,0.0002098737,0.00002016061,0.0001974867,0.00005070824,0.001433525,0.9757581,0.0003312817,0.0003632497,0.02071763],"study_design_scores_gemma":[0.0003416307,0.008375918,0.004420522,0.00002968625,0.00009563319,0.001012819,0.00002755591,0.00221355,0.9647026,0.00009306359,0.01865987,0.00002702525],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9778365,0.01204703,0.003159095,0.0001376576,0.00007928999,0.0001345073,0.0007026088,0.0001486482,0.005754695],"genre_scores_gemma":[0.9830678,0.008404927,0.003238658,0.00008710759,0.00003782588,0.00009839999,0.001129333,0.00001580844,0.003920094],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001084682,"threshold_uncertainty_score":0.003628612,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0116754389251667,"score_gpt":0.2462684163264198,"score_spread":0.2345929774012531,"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."}}