SOLCALC

Perform PC-SAFT predictions inhouse with our propietary SOLCALC software platform.

Easy Software solution

The user-friendly Solcalc environment allows a fast and easy integration into your workflows.

Bring your formulation development to the next level -ressource-friendly on your local machine!

Key functions

  • calculation of phase equilibria with PC-SAFT (vapor pressures, solubilities, liquid-liquid-demixing, vapor sorption, phase equilibria at constant humidity). Learn more about PC-SAFT here.
  • PC-SAFT database for commonly used excipients, pharmaceuticals, solvents, ions and polymers (approximately 300 pure components, 1800 binary interaction parameters)
  • Parameter fitting of pure-component parameters to vapor pressure, density, solubility, vapor sorption data
  • Parameter sensitivity analysis tool (e.g. via Monte-Carlo Simulations) and comparison of different parameter sets
  • Prediction of glass transitions of amorphous materials and molecular mobility above and below glass transitions
  • Unique shelf-life tool to predict the crystallization onset time of metastable ASDs
  • Customized calculation tool to predict metastable states, supersaturation or thermodynamic driving forces via activities of multi-component mixtures, octanol/water partitioning or create individual calculation procedures
  • 64bit or 32 bit Excel plugin with extensive Excel interoperability (e.g. Excel solver integration)
  • Requirement: PC (Windows 10) with Microsoft Excel.

Large database including the most relevant pharmaceutical excipients

Modeling of diverse complex processes possible (e.g. spray drying, co-precipitation, scCO2-based processes… ) due to broad database with most commonly used pharmaceutical excipients. The database contains essential chemicals like solvents, gases, ions, excipients (polymers, sugars, amino acids, surfactants) and model APIs.

Pure-component parameters
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Binary interaction parameters
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Excipient grades
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Solvents
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Ions
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model APIs
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FAQ

SOLCALC software is an Excel-based add-in specifically engineered for drug formulation applications. It facilitates a broad variety of PC-SAFT calculations, including classical phase equilibria and metastable states, and assesses the impact of humidity on formulation stability. Additionally, it enables the evaluation of glass transition temperature (Tg), wet Tg, shelf life, and molecular mobility. This tool is instrumental in the digital design of drug formulations, providing a robust platform for comprehensive formulation analysis.

For additional information, please follow this link to the amofor software page

The software offers a comprehensive range of calculations essential for drug formulation. It provides analyses for amorphous solid dispersion (ASD) phase diagrams, humidity effects, water sorption, phase separation, and both glass transition (Tg) and wet Tg temperatures. It evaluates the shelf life of ASDs, determines miscibility, and includes customized functions for advanced calculations (e.g. thermodynamic activities, fugacities) that can lead to complexer calculations like an entire spray drying processes (encompassing assessments of residual solvent, solvent accumulation during drying, and enabling virtual design of experiments).

For further details, please refer to our case studies and white papers.

  • Reduces the need for trial-and-error experiments through a deeper understanding of intermolecular interactions
  • Decreases API usage in the early stages of development, conserving valuable resources
  • Ensures a more systematic approach to drug formulation and therefore higher operational excellence
  • Improved Cost-Efficiency, translating into lower overall development costs.
  • Accelerates the overall drug development process, allowing faster time-to-market

 

For more information about amofor’s contribution to a structured approach for ASD development, download the following book chapter ‚Structured Development Approach for Amorphous Systems’ authored by formulation scientists from Roche: Download

The software is specifically designed for formulation scientists, pharmacists and chemical engineers, simplifying the complexity of thermodynamic modeling for those in the pharmaceutical field. We ensure that our primary audience can fully leverage the software through concise and practical training sessions. These sessions equip users with the necessary knowledge to confidently apply the software in their work, bridging any knowledge gap and making the science behind it accessible and actionable.

No programming skills are required to use the software, as it is fully integrated within Excel. Support is included with the license, ensuring assistance is readily available should you have any questions. We offer customized training plans tailored to your specific needs and objectives.

All results are obtained within a short period of time – almost instantaneously. No comparison to molecular dynamics (MD) simulations. SOLCALC is designed to perform calculations on a standard PC with ordinary hardware specifications, allowing analysis of complex mixtures without requiring specialized equipment. This efficiency ensures that users can obtain comprehensive insights quickly and effectively.

We prioritize the security and privacy of your sensitive information. SOLCALC ensures that all data remains local on your device, with no communication between the software and our servers. This policy guarantees that your data is not stored or processed in the cloud.

For detailed pricing information on SOLCALC software, we invite you to contact us directly. The software is offered through a 1-year subscription model, emphasizing our dedication to continuous innovation and consistent updates. Our team is committed to understanding your specific needs and will provide you with a customized offer tailored to your requirements.

Yes, the software is equipped with built-in capabilities for rigorous modeling of complex formulations, including lipid-based formulations, ternary amorphous solid dispersions (ASDs) and surfactant-containing ASDs. Its versatility allows for the analysis of a wide range of components within any formulation. The software further supports a wide range of excipients, such as sugars, lipids, amino acids, among others. Numerous publications demonstrate the benefits of this modeling approach.

We have strategies to characterize unknown material and can do the parameter fit for these compounds (e.g. a polymer: fitting to vapor sorption data) with limited amounts for training data sets. Additionally, new excipient grades can be considered. Our approach is validated by practical applications and publications, including a notable collaboration with the excipient supplier Nisso Chemical. Read the publication here.

The software requires only few data points to effectively train the model for a new substance, typically as few as 5 solubility measurements in organic solvents. This is significantly less data than what is usually needed for AI/ML tools. Its robustness stems from a solid physical foundation that describes intermolecular interactions, ensuring accuracy and reliability with minimal input.

Solcalc is constantly updated, expanded to incorporate newly characterized compounds and integrated with new functions. This ongoing development is especially relevant for users interested in different grades of excipients or in comparing offerings from various suppliers. By choosing SOLCALC, you can be confident utilizing a software that is kept up-to-date with the latest characterizations and data, facilitating informed decisions and enhanced research outcomes.

Ready for a new chapter of formulation development?

Let’s discuss your Software needs and get in touch with us!