ExtractablesLeachablesRiskAssessor

Extractables Leachables Risk Assessor

dissolution EAEU impurities infusions injectables microbiology pharmacopoeia specification

Extractables & Leachables Risk Assessor — E&L risk screening (ICH Q3E)

ℹ️ The utility assesses risk of extractables/leachables from packaging and components.
ℹ️ Does not use machine learning — rule-based logic only.
⚠️ Required during new drug development or packaging changes.

Usage:
ExtractablesLeachablesRiskAssessor.exe → demo mode (console output)
ExtractablesLeachablesRiskAssessor.exe input.csv output.json → evaluate your data

Input format:
MaterialContact,SubstanceType,ContactTimeHours,TemperatureCelsius,DosageForm,IsLipophilic

Example:
Primary Packaging,Plastic,720,25,Injection,true
Tubing,Rubber,2,37,Infusion,false
Stopper,Butyl Rubber,8760,25,Lyophilized Injection,true

— WHY IS THIS NEEDED?
Extractables and leachables:
• Can migrate into drug product from packaging, tubing, stoppers,
• Especially hazardous for parenterals and lipophilic drugs,
• Require toxicological assessment at high risk.
Compliance with ICH Q3E and Ph. Eur. 3.1–3.2 is mandatory for registration.

input.csv

MaterialContact,SubstanceType,ContactTimeHours,TemperatureCelsius,DosageForm,IsLipophilic
Primary Packaging,Plastic,720,25,Injection,true
Tubing,Rubber,2,37,Infusion,false
Stopper,Butyl Rubber,8760,25,Lyophilized Injection,true

URS & FS — user requirements and functional specification

This document defines user requirements and functional specification for the quality-control utility. It supports deployment discussion, IQ/OQ preparation and QC workflow integration.

Utility: ExtractablesLeachablesRiskAssessorAPI / object: Extractables Leachables Risk AssessorCategory: EAEU pharmacopoeia

1. Scope

The Extractables Leachables Risk Assessor utility is used for Extractables Leachables Risk Assessor. The actual input.csv is the source of truth for the input structure; control criteria are defined by the executable and the domain description.

The utility does not use machine learning; decisions are produced by deterministic rules.

Categories: EAEU pharmacopoeia

Tags: dissolution, EAEU, impurities, infusions, injectables, microbiology, pharmacopoeia, specification

2. Execution modes

ExtractablesLeachablesRiskAssessor.exe                            → demo mode (console output)
ExtractablesLeachablesRiskAssessor.exe input.csv output.json      → evaluate your data

3. Key controlled areas

dissolution / disintegration
pH and physicochemical parameters

4. Domain limits and critical parameters

⚠️ Required during new drug development or packaging changes.

Limits stated in the description must be verified against the current approved specification, pharmacopoeial monograph and registration dossier before production use.

5. URS — user requirements

ID	Requirement	Criticality	Acceptance criterion
URS-001	The system shall accept an `input.csv` file for Extractables Leachables Risk Assessor with the exact columns listed in the “Input data contract” section.	High	A file with the correct header is processed without manual editing; missing mandatory columns produce FAIL/import error.
URS-002	The system shall support execution without arguments in demo mode and execution with `input.csv output.json` for user data.	Medium	Both execution scenarios produce a predictable result or clear diagnostic error.
URS-003	The system shall perform rule-based controls for: dissolution / disintegration, pH and physicochemical parameters.	High	Each controlled parameter receives a status and message; the result does not depend on hidden Excel formulas or ML.
URS-004	The system shall preserve traceability between batch/lot, source values, applied rules and final verdict.	High	Output includes batch identifier, source values, parameter statuses and critical findings.
URS-005	The system shall generate machine-readable `output.json` for LIMS/ELN/MES, batch record and QA/QC review.	High	JSON contains overall status, check array, warnings, failures and source-file reference.
URS-006	The system shall support use in the client validation package: URS/FS, IQ/OQ preparation, installation and operational scenario checks.	High	The document, test scenarios and reproducible CSV/JSON flow are suitable for audit and internal approval.
URS-007	The system shall clearly separate technical data errors from specification nonconformities.	Medium	Schema/type errors are not mixed with pharmacopoeial deviations and are reported separately.

6. input.csv data contract

The source of truth for the input schema is the actual input.csv header. Column names are technical identifiers and are not translated.

#	Column	Type	Unit	Description	Sample	Control rule
1	`MaterialContact`	text	as specified	Material Contact	`Primary Packaging`	mandatory value; format and acceptability are checked by the utility
2	`SubstanceType`	text	as specified	Substance Type	`Plastic`	mandatory value; format and acceptability are checked by the utility
3	`ContactTimeHours`	decimal	h	Contact Time Hours	`720`	mandatory numeric value; rule comparison is performed by the utility
4	`TemperatureCelsius`	decimal	°C	Temperature Celsius	`25`	mandatory numeric value; rule comparison is performed by the utility
5	`DosageForm`	text	as specified	Dosage Form	`Injection`	mandatory value; format and acceptability are checked by the utility
6	`IsLipophilic`	decimal	as specified	Is Lipophilic	`true`	mandatory value; format and acceptability are checked by the utility

CSV example

MaterialContact,SubstanceType,ContactTimeHours,TemperatureCelsius,DosageForm,IsLipophilic
Primary Packaging,Plastic,720,25,Injection,true

7. FS — functional specification

ID	Function	Implementation description
FS-001	CLI entry point	The executable `ExtractablesLeachablesRiskAssessor.exe` supports demo mode and `input.csv output.json` processing mode.
FS-002	CSV parser	The import module reads CSV, validates header, column presence/order, value count and encoding. Decimal values are expected with a dot separator.
FS-003	Field conversion	Each column is converted to the expected type: identifier, text, decimal number, date/time or boolean flag.
FS-004	Domain rule engine	For Extractables Leachables Risk Assessor, explicit rules are applied: range, minimum, maximum, absence of prohibited flag, data completeness or calculation-based check.
FS-005	Criticality handling	Critical violations produce FAIL; non-critical deviations and incomplete data produce WARNING; full conformance produces PASS.
FS-006	JSON writer	`output.json` stores overall status, per-parameter results, source values, warnings, failures and diagnostic messages.
FS-007	Integration contract	The CSV → JSON format is stable for invocation from LIMS/ELN/MES, scheduled task or wrapper service.
FS-008	Error handling	Schema error, missing file, non-numeric value or JSON write failure returns diagnosable error without silent PASS.

8. output.json contract

The output file must be suitable for automated processing, audit review and correlation with the source input.csv row.

{
  "utility": "ExtractablesLeachablesRiskAssessor",
  "api": "Extractables Leachables Risk Assessor",
  "batchNumber": "",
  "overallStatus": "PASS|WARNING|FAIL",
  "checkedAtUtc": "2026-05-18T00:00:00Z",
  "checks": [
    {
      "parameter": "MaterialContact",
      "value": "Primary Packaging",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "SubstanceType",
      "value": "Plastic",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "ContactTimeHours",
      "value": "720",
      "unit": "h",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "TemperatureCelsius",
      "value": "25",
      "unit": "°C",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "DosageForm",
      "value": "Injection",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    },
    {
      "parameter": "IsLipophilic",
      "value": "true",
      "unit": "as specified",
      "status": "PASS|WARNING|FAIL",
      "message": "Rule-based check result"
    }
  ],
  "criticalFindings": [],
  "sourceFile": "input.csv"
}

9. OQ/PQ test scenarios

ID	Scenario	Expected result
TC-001	Valid CSV with expected header and sample row	All rows are processed; output contains PASS/WARNING/FAIL and parameter-level detail.
TC-002	A mandatory input.csv column is missing	Import is rejected or the row receives FAIL with schema reference.
TC-003	A numeric field contains text or a blank value	Type conversion error is recorded; the result is not hidden as PASS.
TC-004	A parameter is outside specification or critical limit	Critical parameters produce FAIL; non-critical deviations produce WARNING according to the rule.

10. QA/QC, CSV and change control

Before production use, the client records executable version, checksum, specification/monograph version, test CSV, expected JSON and IQ/OQ results.
Column names must not be changed without updating the validator and test scenarios.
The source CSV, output.json and utility version should be stored together as an evidence package.
Any change in control rules must go through change control and repeated OQ scenario verification.

Included in packages

Dental & Dental Materials QC Suite

QC utility package for dental medicinal products, oral-care products and dental materials: anaesthetics, antiseptics, analgesic/anti-infective products, polymers/minerals, resins, bonding workflows, microbiology, stability and material QC.

Open

EAEU Pharmacopoeia QC Suite

Package for EAEU pharmacopoeial methods: specifications, dissolution, microbiology, impurities and general tests.

Open

Toxicology QC Suite

QC utility package for toxicologically relevant risks: genotoxic impurities, residual solvents, elemental impurities, heavy metals, mercury, mycotoxins, pesticides, extractables/leachables and degradation impurities.

Open