Dates TBA · 1-Day Online Workshop

FORMULA-X Workshop
From DoE Data to Optimized Formulations

Master the complete formulation optimization pipeline. From DoE design to Bayesian lab-in-the-loop optimization, ICH Q8 design space, and publication-grade reports - no programming required.

1
Day
4
Sessions
3
Hands-on Labs
30
Days Free Platform Access
Full access to all FORMULA-X modules
The Formulation Pipeline You'll Master
1
Design Experiment
Box-Behnken, CCD, D-optimal, factorial
2
Build & Compare Models
RSM polynomial, Gaussian Process, gradient boosting
3
Map Design Space
Pr(specs met) heatmaps, ICH Q8 / QbD
4
Optimize & Report
Bayesian BO, Pareto fronts, PDF export
What You'll Learn

8 Learning Objectives

From DoE design fundamentals to Bayesian lab-in-the-loop optimization - a complete formulation science toolkit

1
DoE Fundamentals

Design experiments using Box-Behnken, CCD, D-optimal, factorial, Latin hypercube, and mixture designs

2
RSM & Polynomial Modeling

Fit quadratic OLS response surface models, interpret effect plots, and assess lack-of-fit

3
RSM vs ML - Honest Comparison

Compare Gaussian Process, gradient boosting, and RSM using nested cross-validation on your own data

4
Probabilistic Design Space

Map Pr(specs met) heatmaps aligned with ICH Q8 / QbD quality-by-design requirements

5
Multi-Objective Pareto Optimization

Run NSGA-II, visualize trade-offs with parallel coordinates and scatter matrices

6
Bayesian Lab-in-the-Loop

Use Bayesian optimization to suggest the next experiment on the desirability scale - close the experimental loop

7
Robust & Constraint-Aware Search

Apply Monte Carlo perturbation around candidates and define sympy constraint expressions

8
Publication-Grade Reporting

Export PDF reports, CSV bundles, and 26 figure types ready for journal submission

Who Should Attend

You Have Formulation Data. We Give You the Tools.

This workshop is for anyone working with experimental formulation data and wanting to go beyond basic statistical analysis - no programming needed. Everything is point-and-click.

This workshop is for you if:
You have DoE or formulation experiment data to analyze
You want to go beyond Excel and basic RSM software
You need ICH Q8 design space maps for regulatory submissions
You want publication-ready figures and reports automatically
Formulation Scientists

Pharmaceutical R&D scientists who run DoE experiments and want smarter optimization, probabilistic design space maps, and efficient next-experiment suggestions.

Pharmacy & Chemistry Students

Graduate and PhD students working on formulation theses or projects. Learn to analyze your experimental data and generate journal-quality results without writing code.

QbD / CMC Practitioners

Regulatory and process development scientists who need ICH Q8 probabilistic design spaces and must demonstrate that their formulation process is robust under variability.

Process Development Scientists

Manufacturing and process engineers who want to optimize multi-variable processes, visualize trade-offs across competing objectives, and identify robust operating regions.

Prerequisites: Experience running lab experiments, comfort with Excel, and basic understanding of means and standard deviations. No Python, R, or ML background required.

The InsilicoΣ Platform

What FORMULA-X Can Do

A complete formulation optimization environment - from raw DoE data to ICH Q8 design space and publication-ready reports

8
DoE Designs
6+
ML / RSM Models
26
Figure Types
6
Optimization Methods

DoE Design Methods

Generate statistically efficient experiment plans for any factor space

Classical Screening

Full factorial, fractional factorial, and Plackett-Burman designs for factor screening

Full Factorial Fractional Factorial Plackett-Burman
Response Surface Designs

Quadratic designs for fitting curved response surfaces to find optima

Box-Behnken Central Composite Face-Centred CCD
Space-Filling & Optimal

Latin hypercube sampling and D-optimal designs for irregular factor spaces

Latin Hypercube D-Optimal Sobol Sequence
Mixture Designs

Simplex lattice and simplex centroid designs where components must sum to a constant

Simplex Lattice Simplex Centroid Augmented Mixture

Modeling Methods

RSM polynomial regression and modern ML - compared honestly side-by-side

RSM Polynomial

Classical quadratic and cubic OLS models with effect plots, lack-of-fit, and ANOVA breakdown

Linear Quadratic OLS Cubic OLS Effect Plots ANOVA Table
Gaussian Process

Bayesian non-parametric model with built-in uncertainty estimates - ideal for BO acquisition

RBF Kernel Matern Kernel Uncertainty Bands Nugget Smoothing
Gradient Boosting

Ensemble tree models with nested CV - often outperforms RSM on nonlinear, noisy data

XGBoost LightGBM Random Forest Nested CV Feature Importance

Optimization & Outputs

Everything you need to find the optimum, map the design space, and report results

Bayesian Optimization

Lab-in-the-loop next-experiment suggestions using Expected Improvement on the desirability scale

Expected Improvement UCB Acquisition Desirability Scale Iterative Batches
Multi-Objective Pareto

NSGA-II evolutionary optimization for competing responses with interactive trade-off visualization

NSGA-II Pareto Front Parallel Coordinates Scatter Matrix
Probabilistic Design Space

Pr(specs met) heatmaps across the factor space - ICH Q8 compliant design space definition

Pr(specs met) ICH Q8 / QbD Joint Probability Threshold Maps
Robust Optimization

Monte Carlo perturbation around a candidate point to verify stability against real-world variability

Monte Carlo Sensitivity Profiles Noise Perturbation Confidence Ellipses
26 Publication Figures

Auto-generated plots at journal resolution - from contour maps to 3D response surfaces

Contour Maps 3D Response Surface Residual Plots Desirability Map Normal Plot
PDF Report & CSV Bundle

Complete project report and raw data bundle ready for inclusion in a journal submission or regulatory dossier

Full PDF Report CSV Data Bundle Model Equations ANOVA Tables
Full Programme

1-Day Online Workshop Schedule

Date TBA · 09:00 - 15:00 · 1-hour lunch break 12:00 - 13:00

Full Day - DoE, Modeling, Optimization & Reporting
TimeSessionTopic
09:00 - 09:15WelcomeOrientation, credentials, sample dataset download
09:15 - 10:00Session 1DoE Fundamentals - designs, factor types, response selection, randomization
10:00 - 10:45Session 2RSM & Effect Modeling - polynomial OLS, main effects, interactions, ANOVA
10:45 - 11:00Break
11:00 - 11:45Session 3ML vs RSM + Bayesian Optimization - Gaussian Process, gradient boosting, Expected Improvement
11:45 - 12:00Lab 1Hands-on: Upload dataset, generate DoE, fit RSM model (tablet dataset)
12:00 - 13:00Lunch
13:00 - 13:45Lab 2Hands-on: ML comparison + BO - which model fits best? Next-experiment suggestion
13:45 - 14:30Session 4Probabilistic Design Space & Pareto Optimization - ICH Q8 maps, NSGA-II trade-offs
14:30 - 14:50Lab 3Hands-on: Full pipeline on your own dataset - design space map + PDF report export
14:50 - 15:00ClosingKey takeaways, next steps, certificates of completion
Investment

Workshop Pricing

Includes 30-day full access to the InsilicoΣ FORMULA-X platform after the workshop

International

$60 USD

Per participant

  • 1-day workshop (4 sessions + 3 labs)
  • 30-day InsilicoΣ FORMULA-X platform access
  • Sample formulation datasets (tablet, nanoparticle, emulsion)
  • Workshop materials & slides
  • Certificate of completion
  • Online delivery - attend from anywhere
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Formulation Background

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Before You Arrive

Prerequisites

Laptop + Browser

Chrome, Firefox, or Edge. The platform is fully browser-based - no software installations needed.

Lab Experiment Experience

You should have run experiments before and understand what factors and responses mean in your domain.

Basic Excel / Statistics

Comfortable with spreadsheets and basic concepts like mean, standard deviation, and p-values. No Python or R required.

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