Advanced Computational Solid-State Services

Model crystallization processes, use in silico tools to accelerate cocrystal screening, and reduce risks in the development of your API before going into the lab

Advanced Computational Solid State Analysis

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Virtual Cocrystal Screening

We combine different computational models to evaluate and prioritize coformers before starting experimental screening.

Crystallization Process Modelling

We integrate solubility, supersaturation, and process variables to explore and better understand the operating space of a crystallization process.

Computational + Experimental

Predictions are not considered a final result. We use them to design more targeted experimental work and generate data that support decision-making.

40+ Years in Solid-State

More than 40 years dedicated to solid-state science, development, and optimization.

Computational Risks in Drug Development

Situations you may be facing or could encounter

Blind spots:

Blind spots: Relying solely on experimental work may leave relevant regions of the solid-form space, potential cocrystals, or critical crystallization process variables unexplored.

Limited API availability:

Consuming significant quantities of a scarce API in broad experimental campaigns, when computational analysis can help prioritize the experiments most likely to provide useful information.

Patent gaps:

ncomplete exploration of the solid-form space may leave intellectual property opportunities unidentified.

Uncertainty in behavior:

An incomplete understanding of how solubility, supersaturation, nucleation, crystal growth, and process variables interact can make it more difficult to develop a robust crystallization process.

Lack of predictability during scale-up:

Developing or scaling up a crystallization process without first modelling the effect of the main process variables can increase the risk of unexpected changes in system behavior during scale-up.

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Computational Solutions for Solid State Chemistry

A) Virtual Cocrystal Screening:

Virtual screening of coformers using empirical, semi-empirical, and theoretical models to prioritize candidates with the highest probability of success before experimental screening.

B) Crystallization Process Modelling:

Thermodynamic and kinetic modelling of solubility, supersaturation, and process variables to better understand crystallization behavior, explore the operating space, and support process development and scale-up.

C) Polymorphism Landscape Review:

Assessment of polymorphism risk and previous experimental work to identify potential gaps and define targeted studies where uncertainty is greatest.

Key Benefits of Our Computational Solid-State Services

Pharma and Biotech Computational Solutions

How we help if you are

An innovative biotech

We maximize the value of early-stage assets by using computational tools to guide solid-form and crystallization process development while minimizing material consumption.

A pharmaceutical company in development

We use computational tools to prioritize new cocrystal options and model crystallization processes, helping develop forms and processes that are better suited to the product requirements.

A leader in generic pharmaceuticals

We evaluate the solid-form and intellectual property landscape to identify potential gaps and prioritize new forms, including cocrystals, through targeted experimental work.

Testimonials from Pharmaceutical Companies That Have Already Put Their Trust in Solitek

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Neil Sim profile picture
Neil Sim
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At HFR, we have collaborated with Solitek across numerous projects for a number of years. Across all projects that we have collaborated on, I have felt that Solitek really work to fully understand the project from the outset. Victor, Steve and all of the team provide expert knowledge across the solid state landscape and combine a methodical approach with scientific rigour. Their communication and reporting is thorough and clearly presented, providing further value when working on more challenging and complex landscapes.
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Anthony Debono profile picture
Anthony Debono
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I have collaborated directly with Solitek on a number of projects. I highly recommend the team. They combine deep technical expertise and experimental know-how, with an efficient and collaborative customer service. Thanks to their decades of experience in the field they are able to give solid advice on development approaches and are proactive and transparent during project execution.
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Josep Castells profile picture
Josep Castells
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La experiencia con Solitek durante el desarrollo de una molécula activa farmacéuticamente fue muy positiva por su gran profesionalidad y la capacidad de superar los retoques técnicos.
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Adria Espinas Torres profile picture
Adria Espinas Torres
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Great experience working with Solitek from Farmhispania Group on solid-state projects. We collaborated in the development of robust and scalable API crystallization processes and solid form selection and characterization, and they always bring clear, practical solutions. Working with Steve, Víctor, and the rest of the team has been very smooth, with close and easy communication throughout. They are agile, adapt well to project needs, and are strongly results-oriented. Strongly recommended!
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David profile picture
David
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AKL Therapeutics had approached Solitek regarding an unusual and difficult issue associated with a liquid eutectic formulation. Solitek devised a clear and systematic plan of investigations to solve the outstanding problems and were well equipped to conduct the necessary specialist studies in this area. The staff have very good practical knowledge and experience in the area of pharmaceutical formulation development. The investigations Solitek conducted proved to be fully enlightening as to and understanding of key issues involved in the development of a suitable formulation for the concerned molecules. The standard of reporting was excellent with regular scheduled updates that were well communicated by the Solitek team. We would certainly recommend Solitek as a competent and capable partner in the area of pharmaceutical formulation development. John McCrerie for AKL Therapeutics
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Ernesto Durán López
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Over the past few years, we have carried out several collaborations with Solitek to address different aspects related to the solid‑state development of pharmaceutical active ingredients. These projects have included salt‑screening studies to modulate API solubility, the exploration of new polymorphic forms and co‑crystals to help overcome IP barriers, and the optimization of process parameters to enhance the robustness of crystallizations at industrial scale. Throughout all these collaborations, the Solitek team has consistently demonstrated strong technical expertise, provided high‑value scientific input, met every agreed timeline, and delivered reports of outstanding quality. Without a doubt, having them by our side when complex challenges arise makes a real difference.
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DBS Chen profile picture
DBS Chen
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With over 20 yrs of outsourcing experience, I have to say Solitek is efficient, comprehensive, and budget-friendly. Their expertise gives me peace of mind when they handle my projects.
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Marta Monjo profile picture
Marta Monjo
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Solitek nos ha ayudado muchísimo en la optimización y el escalado de nuestro proceso. Han demostrado un gran conocimiento técnico y una excelente capacidad para encontrar soluciones prácticas a los retos que han ido surgiendo durante el proyecto. Los estudios de familiarización realizados posteriormente en planta kilo-lab fueron todo un éxito y nos aportaron información muy útil para seguir avanzando. Además, durante todo el proceso de industrialización han seguido brindándonos apoyo y asesoramiento ante cualquier consulta o necesidad que ha surgido, demostrando un gran compromiso con el éxito del proyecto. Ha sido un placer trabajar con un equipo tan profesional, cercano y comprometido. Muchas gracias!
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I Maikel profile picture
I Maikel
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Nuestras colaboraciones con Solitek han sido muy satisfactorias. Su profundo conocimiento del estado sólido, y de los procesos de optimización y escalado han rendido procesos sólidos, fiables, bien documentados y fáciles de transferir. Un placer trabajar con ellos.
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Jacques Alain Bauer profile picture
Jacques Alain Bauer
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The experience with Solitek Pharma projects were perfect, with real-time communication, very flexible collaboration and excellent reporting.
About Solitek Pharma

Expert Computational Solid State Laboratory

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Solitek Pharma was founded to reduce risk and prevent costly failures in small molecule drug development, drawing on over 50 years of accumulated experience in the pharmaceutical industry, including more than 40 years focused specifically on solid-state science.

Our expertise was built at internationally recognized pharmaceutical companies such as GSK, Johnson Matthey, and Almac, Spanish companies such as Esteve and Medichem, and specialized solid-state teams such as Pharmorphix and Enantia.

We have participated in more than 1,000 drug development programs, giving us the practical perspective needed to approach each project with a clear sense of what truly needs to be accomplished and decided at every stage.

Our current company, Solitek Pharma, was founded in 2021 and is based at the Barcelona Science Park (Parc Científic de Barcelona), a hub for operations and specialized talent in our sector.

We are an agile team of experts who work closely with our clients, integrating as an extension of their development teams. We focus on what’s needed here and now, helping projects advance with lower risk and greater value for future partners.

"The team at Solitek is world-class. Experts in their field and with a customer-focused attitude, they have supported us on multiple solid state projects over the years, consistently delivering both in terms of technical execution and clean project management and reporting”.
Anthony Debono
Head of R&D API – Medichem, SA
"Solitek provided a highly professional and efficient service, supporting the scale-up process with clear communication, technical expertise, and reliable results".
Marta Monjo
Full Professor at Universitat de Les Illes Balears
“Trabajar con Solitek ha sido un placer. El reto técnico al que se enfrentaban era muy complejo y lo resolvieron con optimismo, eficiencia y rapidez. Colaborar con ellos resultó sencillo y ágil. Su conocimiento técnico y su excelente actitud para afrontar y superar desafíos los convierten en un aliado clave para nuestros proyectos en estado sólido y polimorfismo.”
R&D Director
CDMO & Generics Company
‘Efficient, comprehensive, and budget-friendly, Solitek delivered results that exceeded expectations by identifying polymorphs overlooked by another lab. Their expertise gives me peace of mind when outsourcing my projects.’
Wen Chen
Head of CMC at Eccogene, Inc.

Working Together and Strategic Partners

The Value of Experience in Advanced Computational Solid State
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Our 3-Step Work Process

Extensive Experience and Cutting-Edge Technology at Your Team's Disposal
STEP 01
Technical Assessment and Scope Definition

We analyze your existing API data, identify crystallization risks, and define key objectives (polymorph, PSD, purity, yield)

STEP 02
Testing Execution and Process Optimization

We execute the work plan at our facilities in the Barcelona Science Park, using advanced characterization and screening tools to reduce risk and optimize every phase of the process.

STEP 03
Clear, Data-Driven Action Plan

We deliver a detailed, actionable technical report, ready for use in regulatory audits or direct transfer to your CDMO.

Frequently Asked Questions About Computational Solid-State Services

It acts as a prioritization and design tool. Computational analysis can reduce the experimental space, select the most relevant candidates or conditions, and design more targeted studies, saving both time and API.

No. The two work best together. Computational tools can prioritize possibilities and explore different scenarios, which must then be evaluated and validated experimentally.

It depends on the type of study. For virtual cocrystal screening, the starting point is the chemical structure of the API and the available physicochemical information. 

For crystallization process modelling, we can also incorporate experimental data on solubility, concentration, temperature, and process conditions, which we would normally generate ourselves.

It can help identify underexplored areas of the solid-form space and prioritize new possibilities, including cocrystals. 

These hypotheses can then be used to direct the experimental work required to generate and characterize new forms with potential intellectual property value.

Thermodynamic and kinetic modelling can be used to study how solubility, supersaturation, and key process variables affect crystallization behavior. This helps explore the operating space, identify more robust conditions, and design targeted experiments before scale-up.

Yes, when they are appropriately justified and supported by experimental data. Computational results can provide additional.

Computational Solid-State Services for Smarter Drug Development

Discover the crystalline spectrum of your API before conducting wet-lab experiments.

Use computational solid-state tools to accelerate cocrystal screening, model crystallization processes, reduce experimental work, and support better API development decisions.