{ "analysis_status": "Exploratory conditional accounting, no new molecule, no fitted concentration-time or efficacy model", "inputs_sha256": "16605bc9bd01a9442dac0c708387eafbf41c3a91ab06bb41adf4020bb4edd3c1", "inputs_hash_convention": "UTF-8 text after universal-newline normalization to LF", "human_context": { "iv_parent_terminal_half_life_mean_range_h": [ 3.23, 3.93 ], "iv_parent_mean_residence_time_mean_range_h": [ 2.4, 2.67 ], "sc_parent_terminal_half_life_geometric_mean_range_h": [ 1.76, 2.79 ], "in_vitro_human_plasma_fitted_half_life_range_h": [ 26.1, 30.8 ], "range_interpretation": "Across source cohort means or assay inputs, not confidence intervals or interchangeable routes; no half-life quotient used", "rounded_parent_plus_metabolite_urine_fraction_sum": 1.01, "recovery_sum_interpretation": "Rounded source values retained, not normalized; adequate collection is an assumption for the clearance calculation, not established from individual records here" }, "conditional_clearance_partition": { "parent_urine_fraction_anchor_approx": 0.1, "assumptions": [ "adequate IV unchanged-parent recovery collection", "linear time-invariant parent disposition", "fixed unchanged-parent renal clearance", "fixed distribution volume in this counterfactual; no half-life prediction made", "q applies to all other parent disappearance, which can include renal metabolism and is not identified as plasma proteolysis", "SC label F used as a separate approximate reference, not a matched-cohort estimate" ], "scenarios": [ { "remaining_other_parent_disappearance_fraction_q_hypothetical": 1.0, "relative_parent_clearance_conditional": 1.0, "systemic_parent_auc_gain_at_fixed_F_and_parent_input_conditional": 1.0, "oral_F_needed_for_equal_material_to_reference_sc": 0.92, "threshold_status": "algebraic break-even condition; not a measured oral F or attainable modification" }, { "remaining_other_parent_disappearance_fraction_q_hypothetical": 0.5, "relative_parent_clearance_conditional": 0.55, "systemic_parent_auc_gain_at_fixed_F_and_parent_input_conditional": 1.8181818181818181, "oral_F_needed_for_equal_material_to_reference_sc": 0.5060000000000001, "threshold_status": "algebraic break-even condition; not a measured oral F or attainable modification" }, { "remaining_other_parent_disappearance_fraction_q_hypothetical": 0.0, "relative_parent_clearance_conditional": 0.1, "systemic_parent_auc_gain_at_fixed_F_and_parent_input_conditional": 10.0, "oral_F_needed_for_equal_material_to_reference_sc": 0.09200000000000001, "threshold_status": "algebraic break-even condition; not a measured oral F or attainable modification" } ], "sensitivity_scenarios_not_a_confidence_interval": [ { "parent_urine_fraction_hypothetical": 0.05, "conditional_gain_if_all_other_disappearance_removed": 20.0 }, { "parent_urine_fraction_hypothetical": 0.1, "conditional_gain_if_all_other_disappearance_removed": 10.0 }, { "parent_urine_fraction_hypothetical": 0.2, "conditional_gain_if_all_other_disappearance_removed": 5.0 } ], "universal_analogue_ceiling": null, "uncertainty": "Rounded recovery and small normal-renal IV cohort; modification may change renal clearance, distribution, analyte identity, activity and route exposure. No universal ten-fold bound follows." }, "unchanged_parent_oral_material_bound": { "clearance_unchanged": true, "oral_F_assigned": null, "matched_outcome": "systemic intact-parent AUC, not useful intracellular exposure or duration", "parent_mass_ratio_to_sc_formula": "0.92 / oral_F", "mathematical_lower_bound_at_oral_F_equal_one": 0.92, "uniform_finite_upper_bound": null, "maximum_possible_parent_material_reduction_fraction_under_these_assumptions": 0.07999999999999996, "finite_upper_bound_absence_reason": "Oral F can approach zero; no numeric SS-31 oral F is established by these sources.", "useful_exposure_cost_rank": { "eligible": false, "missing": [ "oral_F", "native_intracellular_access", "relative_function_at_matched_intracellular_parent_exposure", "final_released_material_cost" ], "invalid": [], "numerical_rank": null } }, "process_accounting": { "source_example_final_salt_to_protected_precursor_mass_ratio": 0.35, "mass_ratio_is_molar_yield": false, "overall_released_parent_yield": null, "actual_final_parent_cost": null, "purity_assay_example_material": "crystalline Compound II intermediate, not SS-31 parent", "actual_to_area_assumed_bulk_for_equal_assayed_intermediate_content_ratio": 1.0070921985815602, "area_assay_example_is_final_parent_cost_estimate": false, "cost_identity": "cost per released assayed-parent mass = total process + QC/release + rejected-batch cost / released assayed-parent mass; both numerator and denominator unidentified here", "missing": [ "matched end-to-end batch identity", "precursor and salt stoichiometric content closure", "final weight assay/water/residual-solvent/counterion correction", "released-parent output and impurity specifications", "stage-specific recovery and rejected batches", "labor, materials, equipment, QC and release cost" ] }, "cell_endpoint_rows": 21, "cell_endpoint_values_reproduced": true, "cross_endpoint_exact_value_audit": [ { "compound": "SS-31", "left_cells": "Cell Viability!N2:N6", "right_cells": "Cellular ATP!D2:D6", "same_position_exact_matches": 2, "compared_positions": 5, "entire_vectors_exactly_equal": false, "interpretation": "Source-data dependence/reuse cannot be resolved here; no cause inferred. These endpoints do not supply established independent replication." }, { "compound": "SS-20", "left_cells": "Cell Viability!O2:O6", "right_cells": "Cellular ATP!E2:E6", "same_position_exact_matches": 2, "compared_positions": 5, "entire_vectors_exactly_equal": false, "interpretation": "Source-data dependence/reuse cannot be resolved here; no cause inferred. These endpoints do not supply established independent replication." }, { "compound": "SPN4", "left_cells": "Cell Viability!P2:P6", "right_cells": "Cellular ATP!F2:F6", "same_position_exact_matches": 3, "compared_positions": 5, "entire_vectors_exactly_equal": false, "interpretation": "Source-data dependence/reuse cannot be resolved here; no cause inferred. These endpoints do not supply established independent replication." }, { "compound": "SPN10", "left_cells": "Cell Viability!Q2:Q6", "right_cells": "Cellular ATP!G2:G6", "same_position_exact_matches": 5, "compared_positions": 5, "entire_vectors_exactly_equal": true, "interpretation": "Source-data dependence/reuse cannot be resolved here; no cause inferred. These endpoints do not supply established independent replication." } ], "native_target_access_calibrated": false, "functional_analogue_equivalence_established": false }