Dr Raghu Rangaswamy

CEO

The rapid acceleration of pharmaceutical and biotech­nology research in the post-COVID era has prompted a paradigm shift toward digital-first R&D ecosystems. As Indian pharma transitions into a new era of innovation, there is a growing reliance on in silico methodologies that offer scal­ability, cost-efficiency, and scientific precision. At the forefront of this evolution is Molecular Solutions, a pioneering life sci­ences technology company founded in 2023 by Dr Raghu Ran­gaswamy (CEO) and Dr Ashwini Raghu (Managing Director).

Molecular Solutions was conceived with the vision to integrate deep domain expertise with next-generation computational technologies, thereby redefining the paradigms of drug discov­ery and development in India and beyond.

“Strategic partnerships are central to our growth within the pharmaceutical research ecosystem, helping us deliver world-class solutions tailored to the specific needs of the Indian re­searchers. Additionally, these collaborations enable us to act as a vital technology bridge, translating the global innovation into accessible, scalable and relevant tools that accelerate R&D across academic, biotech and pharmaceutical R&D in India.

Our mission is to empower pharmaceutical R&D companies with innovative software solutions that enhance efficiency, accuracy and collaboration in pharma research through the use of ad­vanced technologies”, says Dr Raghu.

Scientific Technology Stack Built through Global Collaboration

As a NextGen pharma tech company, Molecular Solutions offers a wide range of software solutions mainly in the areas of genomics, proteomics, biology R&D, chemistry R&D, computational drug discovery, chemical space docking, free energy perturbation, polymorphism prediction, ELN/LIMS, patent analysis, DMPK, PK/PD modelling, instrument data integration, AI/ML, formulation development, Patent analysis and virtual reality.

To do so, the company has partnered with some of the world’s leading technology companies such as Dotmatics, Simulations Plus, Chemical.AI, Altoris, XtalPi, BiosolveIT, Genotypic, TransGeneIT and many others.

The software’s offered by these companies covers core technology domains like AI/ML Predictive modeling for ADMET, lead identification, lead optimization and synthetic route optimization using robust ML frameworks trained on curated experimental data.

Additionally, the software also facilitates Chemical Space Docking and Free Energy Perturbation (FEP) Calculations through deployment of XFEP for high-precision estimation of binding affinities, enabling structure-based drug design with quantum-level accuracy, particularly powerful in challenging molecular types such as macrocycles, peptides, and covalent inhibitors.

While physics-based and mechanistic modeling tools such as GastroPlus, Monolix, and PK/PD modeling platforms simulate drug absorption, distribution, metabolism, and excretion. Further, in terms of retrosynthesis & reaction prediction, AI-driven solutions like ChemAIRS enable chemists to rapidly generate synthesis pathways, explore chemical space, and assess route feasibility.

Most importantly, each of the solutions that the company provides are modular, cloud-ready and compatible with existing enterprise infrastructures as well, facilitating seamless access and accessibility for research teams aiming to modernize their R&D without the need for a major infrastructure spending.

As a result, researchers are able to efficiently generate, evaluate and refine the lead compounds, while simultaneously minimizing the wet lab experiments and accelerating early stages of drug discovery with a very high precision and success rate.

Client-Driven & Deeply Customized

Always prioritizing customer satisfaction above everything else, Molecular Solutions leaves no stone unturned to ensure that its clients get only the best quality service. In light of this, it has adopted a consultative approach wherein it first engages with the customer through in-depth discovery calls, require­ment mapping and tailored use case demonstrations to get a clear understanding of their research objectives, challenges and other requirements.

Based on the gathered inputs, the compa­ny’s team of scientific experts then test potential software tools & technologies, identify the best solution partners in that partic­ular segment, and even evaluates whether the selected technol­ogy or solution is suitable for the Indian research environment.

Yet another highlight of Molecular Solutions’ service de­livery is the partnerships that it holds with globally renowned technology companies, wherein any niche requirements from the clients is conveyed to the respective technology partners to develop the required features or enhancements into their solu­tions. The same process is followed for any client feedbacks and suggestions as well, ensuring that the software remains innova­tive and user-centric.

“At Molecular Solutions, we ensure long-term client success through robust pre- & post-deployment support, providing regular updates and custom services tailored precisely to their demands. Additionally, our in-house team of highly qualified and experienced scientists each of whom are PhD holders with 5-40 years of domain expertise provide comprehensive training, hands-on instruction and live demonstrations to the client teams whenever any new software update is rolled-out.

Overall, through our proactive and expert-driven customer support model, we ensure continuous value creation and high client satisfaction levels across academic, pharmaceutical and industrial environments”, Dr Raghu further explains.

Ethics, Security & Regulatory Compliance at the Core

Ethical compliance and data privacy are at the heart of Molecular Solutions’ business model, where every solution from every technology partner adheres to all industry-specific ethical standards and data protection requirements. Going a step further, the company has not only implemented secure data protection protocols, conducts regular audits and follows industry-best practices while handling sensitive research data to safeguard clients' intellectual property, but even provides those certificates and audit reports to the clients as well.

“Our goal is to enable clients with robust, validated, and secure digital platforms that reduce bench time and increase discovery confidence,” says Dr Raghu.

Expanding Scientific Horizons

Looking ahead, Molecular Solutions aims to establish center of excellence in drug discovery in partnership with academic in­stitutions to foster talent and translational research. Plans are underway to expand into Southeast Asia and the Middle East, strengthening the company’s footprint across emerging phar­ma innovation hubs. With a strong foundation in AI, quantum chemistry, molecular modeling, and real-world simulation, Mo­lecular Solutions is positioned to become India’s leading in sili­co R&D partner, empowering scientists to make faster, smarter, and more cost-effective decisions in drug development.

“We envision a future where every pharma or biotech scientist in India has access to the world’s most advanced in silico tools tailored, accessible, and scalable for their needs”, concludes Dr. Raghu.