{"id":"W4388243223","doi":"10.1093/oso/9780199637508.003.0006","title":"Protein-ligand interactions studied by FTIR spectroscopy: methodological aspects","year":2001,"lang":"en","type":"book-chapter","venue":"","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; National Research Council Institute for Biodiagnostics","funders":"","keywords":"Ligand (biochemistry); Sophistication; Chemistry; Protein ligand; Volume (thermodynamics); Computational biology; Computer science; Computational chemistry; Chemical physics; Physics; Biology; Biochemistry; Thermodynamics; Sociology","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":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002795764,0.0007466105,0.0009034492,0.00007356662,0.0002195321,0.0001407394,0.0006882006,0.0008007123,0.0390008],"category_scores_gemma":[0.0004166087,0.0006606939,0.0003511109,0.00004886119,0.0002621001,0.00007755059,0.0004666665,0.002439212,0.0006161103],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006152912,"about_ca_system_score_gemma":0.0001949482,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004196988,"about_ca_topic_score_gemma":0.00005742255,"domain_scores_codex":[0.9967951,0.00003043774,0.0005982714,0.001084025,0.0007565464,0.0007355762],"domain_scores_gemma":[0.9977618,0.0003728269,0.000290675,0.001023782,0.0001899611,0.0003609072],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00009842966,0.0001564372,0.000008968411,0.0002981853,0.0006456574,0.0003779198,0.00002818231,3.298389e-7,0.8845043,0.02560015,0.08720721,0.001074301],"study_design_scores_gemma":[0.0003245907,0.00004169596,3.587614e-7,0.000139775,0.00006102872,0.00007907875,0.0000214024,0.000005796521,0.4335196,0.01919256,0.546132,0.0004821231],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.0009519465,0.000428709,0.0003048271,0.001154919,0.0000919298,0.0003491417,0.0001295865,0.000422901,0.9961661],"genre_scores_gemma":[0.001957829,0.0003776015,0.003962372,0.00009159965,0.0008832554,0.00009999725,0.0002666983,0.000136343,0.9922243],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.4589248,"threshold_uncertainty_score":0.9998622,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1147716419616625,"score_gpt":0.368460652691964,"score_spread":0.2536890107303015,"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."}}