Solutions
In Silico Modeling
Answer your hardest process questions before you hit the factory floor with in silico modeling.
In pharmaceutical development, time is everything.
You need to know how a reaction behaves at scale, which parameters actually drive quality, and whether the process will hold together when it moves to a new site.
But real-life experiments consume time, resources, and money you may not have. Every avoidable delay can increase development costs, defer revenue, consume patent life, and postpone access for patients waiting for therapy.
You need a validated computational model that can run studies that are too expensive to test in the lab, providing hundreds of scenarios at production scale before anything hits the production bench.
Model Your Process Before You Build It with In Silico Modeling
Pharmatech Associates provides a market-ready capability platform for small molecules, biologics, drug products, devices, facilities, and CMC, built to de-risk scale-up, enhance process understanding, and move high-quality medicines from development to patients with lower cost, greater speed, and confidence.
We build modeling programs that are:
- Grounded in the physics and chemistry of your actual process
- Validated against your real experimental and GMP data
- Built to be defended under regulatory review
As a USP company with over 30 years’ experience in drug development, CMC, and GMP execution, we’ve completed more than 80 modeling projects and had multiple in silico strategies reviewed by the FDA. We’re not a software vendor. We’re a team of CMC, modeling, and regulatory experts who deliver the answer and the argument that supports it.
Pharmatech Associates Helps You:
Save Time & Money
Run virtual design of experiments that screen conditions, rule out dead ends, and arrive at the lab with a short list, which is critical when material is scarce, expensive, or highly potent.
Accelerate Scale Up
Translate process knowledge from lab to pilot to commercial scale with fewer surprises, clearer recipes, and stronger site-to-site transfer packages.
Defend Your Process
Build defensible design space, PAR/NOR, risk assessments, stability predictions, impurity fate maps, and control strategies that support regulatory confidence.
Improve Reliability
Use data analytics, predictive maintenance, advanced process control, PAT, RTRT, and dashboards to identify issues earlier and sustain performance.
What You Get
Data-Driven Models
First-principles models of your unit operations, with statistical and data-driven layers where they add accuracy.
Validated Digital Twins
Models checked against your real lab, pilot, and GMP data before they inform a single decision, with documented verification, validation, and uncertainty quantification.
Defined Design Space & Control Strategy
Operating windows, critical process parameter to critical quality attribute linkages, PAT selection, and real-time release readiness, all documented for submission.
Optimization & Sensitivity Analysis
The global optimum, the good designs near it, and the variables that actually move your outcome, delivered through interactive dashboards your team can use.
Scale-Up & Transfer Packages
Equipment characterization, set-points, and recipes that travel from lab to pilot to commercial, and from site to site, with the rationale intact.
Regulatory Experience with Models
Guidance from a team that has taken in silico strategies through FDA review and knows what a model has to demonstrate to be credible.
Our In Silico Modeling Services
- Process Modeling & Digital Twins
- Process Development & Optimization
- Scale-Up & Tech Transfer
- CMC & Regulatory Support
Process Modeling and Digital Twins
A model is only useful if it reflects your process and holds up against scrutiny. We build models on the underlying physics and chemistry, validate them against your data, and establish the credibility evidence that lets you rely on the output.
- Mechanistic and first-principles process modeling
- Computational fluid dynamics for mixing, mass transfer, and shear
- Hybrid models pairing a physics core with data-driven correction
- Model verification, validation, and uncertainty quantification
- Model credibility, lifecycle management, and change control
- Model registry, versioning, and governance
Process Development and Optimization
The fastest way to a robust process is to understand it before you run it. We model the unit operations that drive your outcome, then run the parametric studies and optimization that identify the conditions worth testing.
- Route scouting, reaction kinetics, and catalyst studies
- Solubility, crystallization, and impurity rejection
- Formulation design and drug product process development
- Virtual design of experiments and sensitivity analysis
- Multi-objective optimization for yield, quality, and throughput
- Techno-economic analysis and interactive decision dashboards
Scale-Up and Technology Transfer
Every jump in scale and every handoff between sites is where process knowledge gets lost. We model what changes with volume and geometry, so your transfer package carries the reasoning and not just the set-points.
- Scale-up and scale-out modeling from lab through commercial
- Equipment characterization, recipe design, and set-point definition
- Site-to-site transfer modeling and comparability support
- Critical process parameter identification and optimization
- Evidence planning for process performance qualification
- Facility, utility, airflow, and particulate flow modeling
CMC Strategy and Regulatory Support
Model output only counts if a reviewer accepts it. We define the context of use up front, map the work to agency expectations, and generate the documentation that makes your model part of a defensible CMC argument.
- Design space definition with PAR and NOR justification
- Quality risk assessment and control strategy integration
- Stability prediction, shelf-life modeling, and impurity fate mapping
- IVIVC and biopharmaceutics modeling support
- Model submission support and Module 3 content
- Alignment with FDA, EMA, and ICH expectations
Case Studies
60% More Yield From the Same Purification Train
- 60% more mass yield from chromatography optimization
- 20% shorter processing time
- Chromatography alternatives compared on screen before committing to resin and equipment
- A model validated on real GMP data and ready to support the filing
A 200,000× Leap With No Room for Error
- A defensible design space, documented for the CMC filing
- The best operating design identified, plus viable backups for when the ideal isn't achievable
- Infeasible designs ruled out on screen instead of on the floor
- A validated model that carries forward to the next scale-up, site, and product
Stop paying to test answers when you can predict them.
You don’t have to choose between an expensive experiment or an untested assumption. By combining deep unit-operation expertise with predictive modeling, data analytics, and lifecycle-ready CMC strategy, we help organizations reduce cost, improve quality, accelerate launch readiness, and bring critical therapies to market sooner.
Tell us about your process. Within hours, you’ll be on a call with subject matter experts who can pinpoint where modeling will pay off in your program and map a path forward.
Frequently Asked Questions
What is in silico modeling?
In silico modeling uses computational simulation to predict how a process behaves under conditions you haven’t physically run. Instead of testing one set of conditions at a time in the lab, you build a model grounded in the underlying physics and chemistry, validate it against real data, and then use it to explore hundreds of scenarios. It answers questions that would otherwise cost months of experiments and materials you may not have.
Where can we apply in silico expertise?
Pharmatech Associates can apply modeling in the following areas:
- Small molecules — Synthesis, purification, crystallization, filtration, drying, spray drying, oral solid dose, modified release, transdermal, and CMC strategy.
- Biologics — Upstream optimization, bioreactor performance, freeze and thaw, downstream purification, formulation, fill-finish, vial filling, pre-filled syringes, auto-injectors, mRNA, vaccines, liposomes, exosomes, and encapsulation.
- Devices and facilities — Equipment design and customization, performance modeling, utility systems, airflow, ventilation, particulate flow, facility optimization, and web-based performance tools.
How is this different from the PAT or multivariate software we already use?
Tools like SIMCA and PAT platforms are strong at monitoring things like batch fingerprinting, fault detection, control charts, as well as spotting patterns in data you’ve already collected. They tell you what is happening. A full CMC modeling stack tells you why it happens, how it scales, how to control it, and how to defend it to a regulator.
Will the FDA accept a model as part of our submission?
Models are accepted when their credibility is established. That means defining the context of use up front, documenting verification and validation, quantifying uncertainty, and showing the model reproduces real process behavior. We’ve had multiple in silico strategies reviewed by the FDA and built the credibility evidence into the work from the beginning rather than assembling it afterward.
Can you model a process that's already running?
Yes. If your process is already in motion, we can build a model of the existing process, validate it against your plant data, and use it to identify why performance is drifting, where the constraint actually sits, and what change will fix it. This allows us to explore solutions without experimenting on your real production.
