{"id":"W2951618722","doi":"10.1002/chin.200610249","title":"Receptor‐Assisted Combinatorial Chemistry: Thermodynamics and Kinetics in Drug Discovery","year":2006,"lang":"en","type":"article","venue":"ChemInform","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Chemistry; Kinetics; Combinatorial 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00264732,0.0007320512,0.001239153,0.0007417731,0.0005369731,0.001943903,0.001318427,0.0007127475,0.005071084],"category_scores_gemma":[0.007001252,0.0009633556,0.0007396903,0.0008712503,0.001571346,0.004018392,0.0008477076,0.001544309,0.001551898],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002036864,"about_ca_system_score_gemma":0.001019649,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001066537,"about_ca_topic_score_gemma":0.001093643,"domain_scores_codex":[0.998592,0.0005130532,0.00006331879,0.0002360282,0.0004602584,0.0001353652],"domain_scores_gemma":[0.9979758,0.001385296,0.0001987045,0.0001803519,0.0001615171,0.00009836622],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0008516171,0.0003891151,0.001016137,0.00115894,0.0001875014,0.0002249009,0.0001617788,0.3082151,0.1122562,0.4515757,0.01362822,0.1103348],"study_design_scores_gemma":[0.0001197724,0.0003518517,0.0005853096,0.00005017654,0.00007350195,0.0001351698,0.00003775979,0.7588668,0.1006913,0.1266705,0.01227101,0.0001469007],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1715961,0.03492441,0.7215881,0.004062774,0.001199259,0.0004293259,0.0008469596,0.002769171,0.0625839],"genre_scores_gemma":[0.9312884,0.01339468,0.03892813,0.0004689877,0.0004434051,0.0003171843,0.0003462285,0.0003403643,0.0144727],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005071084,"threshold_uncertainty_score":0.01696444,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002971560507484837,"score_gpt":0.1909618373448306,"score_spread":0.1879902768373458,"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."}}