{"id":"W2069001408","doi":"10.1021/op060011y","title":"Polymorphic Generation through Solvent Selection:  Ranitidine Hydrochloride","year":2006,"lang":"en","type":"article","venue":"Organic Process Research & Development","topic":"Crystallization and Solubility Studies","field":"Materials Science","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Recrystallization (geology); Ranitidine Hydrochloride; Nucleation; Crystallization; Solvent; Acetonitrile; Methanol; Polymorphism (computer science); Chemistry; Fourier transform infrared spectroscopy; Chromatography; Chemical engineering; Organic chemistry; Ranitidine","routes":{"ca_aff":true,"ca_fund":true,"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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001236962,0.0001792324,0.0002016808,0.0001256145,0.001169348,0.0002238016,0.0002831862,0.00007314742,0.003297103],"category_scores_gemma":[0.0002140825,0.0001634855,0.00002689228,0.0008645765,0.0001412594,0.0003355221,0.0001591229,0.0001861126,0.0005347217],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004518279,"about_ca_system_score_gemma":0.0008505858,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001126746,"about_ca_topic_score_gemma":0.0008093878,"domain_scores_codex":[0.9970786,0.00012062,0.0004568166,0.0005343013,0.001190856,0.0006188112],"domain_scores_gemma":[0.9988637,0.00005353188,0.00007299778,0.0001841685,0.0007464914,0.00007910978],"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":[0.00003161257,0.0002336921,0.0006909802,0.00008939754,0.00001370198,0.000006026633,0.001940522,0.0001149532,0.9910667,0.00172903,0.003748794,0.0003346218],"study_design_scores_gemma":[0.0004030406,0.00004576562,0.001360849,0.00002855016,0.000004302387,0.00001405005,0.0003681753,0.0002539495,0.9728964,0.001986221,0.02239942,0.0002393007],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9772731,0.0005065433,0.01619752,0.001502655,0.0002452059,0.0005313999,0.000003759292,0.0002238758,0.003515966],"genre_scores_gemma":[0.9942504,0.0000854583,0.001680835,0.00009268785,0.0004003394,0.0001657853,0.00004659299,0.00002757344,0.003250392],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01865062,"threshold_uncertainty_score":0.997614,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06585597059065716,"score_gpt":0.3390372942402405,"score_spread":0.2731813236495833,"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."}}