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functional_requirements.md

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BioEq Functional Requirements Specification

1. Introduction

This document specifies the functional requirements for the BioEq software package, designed for analyzing bioequivalence studies. These requirements are aligned with FDA guidance for statistical approaches to establishing bioequivalence.

2. Pharmacokinetic Parameter Calculation Requirements

2.1 Area Under the Curve (AUC)

FR-2.1.1: The system shall calculate AUC using the trapezoidal rule.
FR-2.1.2: The system shall handle non-uniform time points.
FR-2.1.3: The system shall calculate AUC from time zero to the last measured time point (AUC₀-ₜ).
FR-2.1.4: The system shall calculate AUC extrapolated to infinity (AUC₀-∞) using the terminal elimination rate constant.
FR-2.1.5: The system shall report the percentage of AUC extrapolated beyond the last time point.

2.2 Maximum Concentration (Cmax)

FR-2.2.1: The system shall determine the maximum observed concentration.
FR-2.2.2: The system shall identify the time point at which Cmax occurs (Tmax).

2.3 Elimination Parameters

FR-2.3.1: The system shall calculate the terminal elimination rate constant (λz) using log-linear regression.
FR-2.3.2: The system shall calculate the elimination half-life (t½) as ln(2)/λz.
FR-2.3.3: The system shall provide criteria for selecting points for the terminal elimination phase.

3. Statistical Analysis Requirements

3.1 Crossover Design Analysis

FR-3.1.1: The system shall perform ANOVA for 2×2 crossover designs.
FR-3.1.2: The system shall include sequence, period, and treatment effects in the ANOVA model.
FR-3.1.3: The system shall calculate least-squares means for test and reference treatments.
FR-3.1.4: The system shall implement mixed-effects models with subject as a random effect.

3.2 Parallel Design Analysis

FR-3.2.1: The system shall perform t-tests comparing test and reference groups.
FR-3.2.2: The system shall perform ANOVA with treatment as the only factor.

3.3 Replicate Design Analysis

FR-3.3.1: The system shall support partial replicate (3-way) crossover designs.
FR-3.3.2: The system shall support full replicate (4-way) crossover designs.
FR-3.3.3: The system shall calculate within-subject variability for the reference product.
FR-3.3.4: The system shall implement reference-scaled average bioequivalence (RSABE) methods for highly variable drugs.
FR-3.3.5: The system shall calculate expanded bioequivalence limits based on reference variability.
FR-3.3.6: The system shall use mixed-effects models appropriate for replicate designs.

3.4 Bioequivalence Assessment

FR-3.4.1: The system shall calculate point estimates for the Test/Reference ratio.
FR-3.4.2: The system shall calculate 90% confidence intervals for bioequivalence assessment.
FR-3.4.3: The system shall assess whether the calculated intervals fall within the 80-125% bioequivalence limits.
FR-3.4.4: The system shall perform analyses on log-transformed PK parameters.

4. Data Management Requirements

FR-4.1: The system shall accept data in standardized formats (CSV, Excel).
FR-4.2: The system shall validate input data for completeness and consistency.
FR-4.3: The system shall handle missing data appropriately.
FR-4.4: The system shall provide data summary statistics by treatment group.

5. Reporting Requirements

FR-5.1: The system shall generate summary tables of PK parameters.
FR-5.2: The system shall produce statistical output in a format similar to established software.
FR-5.3: The system shall enable export of results to standard formats.
FR-5.4: The system shall provide measures of variability (SD, CV%) for all parameters.

6. Validation Requirements

FR-6.1: The system shall provide detailed documentation of all calculation methods.
FR-6.2: The system shall include references to established literature for all implemented methods.
FR-6.3: The system shall maintain traceability between requirements and implementation.
FR-6.4: The system shall include comprehensive test coverage for all calculations.

7. Quality Control Requirements

FR-7.1: The system shall produce consistent results for identical inputs.
FR-7.2: The system shall maintain precision in calculations to minimize rounding errors.
FR-7.3: The system shall validate inputs and provide appropriate error messages.
FR-7.4: The system shall maintain an audit trail of analysis steps.

This requirements specification will serve as the foundation for development, testing, and validation of the BioEq package.