iScience designs and develops analytical software, numerical models and AI-powered tools for chemistry, pharma, life sciences and nuclear.
End-to-end support from algorithm design to production deployment, for research teams and industrial partners.
Consultancy for data analysis, numerical modeling and advanced visualization tailored to scientific domains.
Full life-cycle development of analytical tools, LIMS, and domain-specific desktop and web applications.
Embedded systems, parallel computing (GPU/OpenCL) and instrument interfacing for laboratory environments.
Specialized courses in data science, machine learning and scientific computing for research teams.
A coherent family of analytical tools sharing the same design language, built for chemists, nuclear scientists and data engineers.
Advanced ELN system flexible enough to fit the workflow of each research partner. Manages reagents, synthesis protocols and analytical data in a unified interface. Incorporates tools for molecular design and computational chemistry integration. iLAB is designed to interoperate natively with the other tools in the i-suite: experimental results can be forwarded directly to iTERA to set up a Design of Experiments campaign, or to iSCALE to initiate a scale-up study. This tight integration turns iLAB into the central hub of a fully connected scientific workflow, from first synthesis to pilot plant.
Browser-based laboratory information management system for analytical chemistry. Supports JCAMP-DX, standard chromatography exports and generic tabular formats. Includes peak finder, Gaussian/Lorentzian fitting, and an editable multi-family spectral reference library with server persistence.
Design of Experiments tool for process chemistry combining classical methods (Full Factorial, CCD, Box-Behnken, Plackett-Burman) with physics-informed machine learning and Bayesian Optimization. Ranked results view with study management and Flask backend.
Structured scale-up calculator for chemical process engineering. Covers agitation (Reynolds, power number), heat transfer, mass transfer, reaction kinetics, crystallization and more. Each case is computed and logged in a persistent study database for team collaboration.
Interactive gamma spectroscopy tool with polynomial energy calibration, peak finder (moving-average baseline), Gaussian/Lorentzian fitting with FWHM and SNR, background subtraction, and isotope matching against public nuclear databases.
Full-physics Monte Carlo simulation environment for gamma and neutron transport. Computes dose deposition in detectors and shielding geometries, models detector response functions for gamma spectrometry, and supports nuclide inventory calculations for waste characterization and decommissioning. Seamlessly integrates with iSPEC for end-to-end spectrometric analysis workflows.
Generative AI platform for scientific document management. Automates content extraction, report drafting and summarization. Improves information retrieval by synthesizing insights from unstructured document archives using retrieval-augmented generation.
Modeling environment where "objects" populate a scenario and "agents" evolve their position and state over time. Applied to diffusion, percolation, reaction-diffusion and complex system simulation in chemical and nuclear contexts.
Visualization toolkit with dozens of 2D, 3D and n-dimensional chart types. Supports synchronized multi-chart events, interactive infographics and embedded machine learning algorithms for trend analysis and pattern identification.
Selected research and industrial collaborations applying our tools in chemistry, nuclear science and process engineering.
Application of iTERA to the optimization of a continuous-flow synthesis of a pharmaceutical intermediate. Classical Box-Behnken design used to screen five process variables (temperature, residence time, flow ratio, catalyst loading, pH), followed by Bayesian Optimization to converge on yield >94% and selectivity >99%. Physics-informed surrogate model validated against kinetic data from in-line analytics.
Multi-site radiometric characterization of legacy low- and intermediate-level radioactive waste using iRAD for study management and iSPEC for gamma spectral analysis. The campaign defined dose maps and nuclide inventories for 120+ waste packages, supporting decommissioning planning in compliance with IAEA and national regulatory requirements.
Scale-up study from 2 L laboratory reactor to 200 L pilot vessel for a specialty polymer process using iSCALE. Heat transfer and agitation cases identified a critical mixing time discrepancy at scale; the tool guided impeller geometry selection and baffling configuration. Resulting pilot runs achieved product quality equivalent to lab scale with ±3% molecular weight deviation.
Integrated workflow combining iRAD for field measurement management with OpenMC neutron transport calculations to produce dose rate maps in the reactor hall and adjacent rooms during decommissioning operations. iSPEC was used to identify and quantify activation products from structural material samples, feeding nuclide vectors back into the Monte Carlo model for iterative refinement.
Combined iTERA and iSCALE workflow for the development and scale-up of an anti-solvent crystallization process for an active pharmaceutical ingredient. iTERA screened solvent/anti-solvent ratios and cooling profiles via a D-optimal design; iSCALE evaluated mixing and supersaturation profiles at 10 L, 100 L and 1000 L scales, predicting particle size distribution shifts and guiding agitation speed adjustments to maintain crystal habit.
Interested in a collaboration or a demo of our tools? Write to us.