It’s important to lay strong foundations for successful drug discovery at this first stage of the process. Our integrated target identification and validation platform combines AI with expert insights, and rigorous lab validation to guide targets through robust evaluation, ready for hit discovery.
Validated, high-quality hits, delivered through integrated technologies and expert collaboration, give you a confident starting point for faster drug discovery.
Turning promising leads into clinical candidates with speed, precision, and the scientific expertise to generate high-quality data and deliver real patient impact.
Discover precise insights into brain neurochemistry with Sygnature Discovery's in vivo microdialysis and cOFM services. With over 20 years of expertise, we design bespoke studies that reveal how compounds modulate neurotransmitter systems in health and disease. Using UHPLC/HPLC with electrochemical detection or mass spectrometry, we deliver robust PK/PD data to support confident CNS decision making.
Delivering integrated, modality-agnostic drug discovery to tackle complex biology, accelerate development, and advance innovative therapies with confidence.
Advancing next-generation ADCs through payload-focused design, integrated expertise, and collaborative innovation to deliver safer, more selective therapies.
Driving biologics innovation through integrated design, structural biology, and multidisciplinary expertise to accelerate next-generation therapies from concept to clinic.
Combining deep therapeutic expertise with translational insight to design strategies, reduce risk, and accelerate discovery programs toward clinical success.
Accelerating oncology drug discovery through integrated expertise, innovative modalities, and translational insight to deliver candidates with real clinical impact.
Driving immunology and inflammation drug discovery through tailored assays, translational models, and integrated expertise for faster clinical success.
Advancing CNS drug discovery through integrated models, translational biomarkers, and multidisciplinary expertise to overcome complexity and accelerate therapeutic innovation.
Designing and advancing differentiated small-molecule therapies for obesity and diabetes through integrated expertise, mechanistic insight, and translational strategies.
Inobrodib, an exciting, first-in-class oral anti-cancer drug in clinical development by CellCentric, was collaboratively designed, synthesised and supported on its pre-clinical journey by an integrated project team at Sygnature Discovery. Inobrodib is now showing promising results in Phase I and II trials for multiple myeloma and other cancer types.
It’s important to lay strong foundations for successful drug discovery at this first stage of the process. Our integrated target identification and validation platform combines AI with expert insights, and rigorous lab validation to guide targets through robust evaluation, ready for hit discovery.
Validated, high-quality hits, delivered through integrated technologies and expert collaboration, give you a confident starting point for faster drug discovery.
Turning promising leads into clinical candidates with speed, precision, and the scientific expertise to generate high-quality data and deliver real patient impact.
Delivering integrated, modality-agnostic drug discovery to tackle complex biology, accelerate development, and advance innovative therapies with confidence.
Advancing next-generation ADCs through payload-focused design, integrated expertise, and collaborative innovation to deliver safer, more selective therapies.
Driving biologics innovation through integrated design, structural biology, and multidisciplinary expertise to accelerate next-generation therapies from concept to clinic.
Combining deep therapeutic expertise with translational insight to design strategies, reduce risk, and accelerate discovery programs toward clinical success.
Accelerating oncology drug discovery through integrated expertise, innovative modalities, and translational insight to deliver candidates with real clinical impact.
Driving immunology and inflammation drug discovery through tailored assays, translational models, and integrated expertise for faster clinical success.
Advancing CNS drug discovery through integrated models, translational biomarkers, and multidisciplinary expertise to overcome complexity and accelerate therapeutic innovation.
Designing and advancing differentiated small-molecule therapies for obesity and diabetes through integrated expertise, mechanistic insight, and translational strategies.
Inobrodib, an exciting, first-in-class oral anti-cancer drug in clinical development by CellCentric, was collaboratively designed, synthesised and supported on its pre-clinical journey by an integrated project team at Sygnature Discovery. Inobrodib is now showing promising results in Phase I and II trials for multiple myeloma and other cancer types.
SygDesign brings artificial intelligence directly into the medicinal chemistry workflow. It gives chemists real‑time predictions, modelling tools, and synthetic feasibility insight through an accessible web platform. In addition to predictive modelling, SygDesign is evolving to support generative AI approaches that actively propose novel compound ideas, helping teams explore chemical space more efficiently and creatively. The result is faster, more informed design cycles and a smoother path through the Design–Make–Test–Analyze (DMTA) process.
Drug discovery generates huge volumes of data, and project teams need tools that make this information easy to use. SygDesign was created to solve that challenge.
It integrates machine learning, cheminformatics, and medicinal chemistry expertise in a single environment that supports AI-data‑driven design. SygDesign follows a progressive AI roadmap, moving from predictive toward generative and future agentic capabilities to work in closer partnership with scientists.
The SygDesign platform follows FAIR principles, so data is findable, accessible, interoperable, and reusable. This helps teams connect information from across projects, workflows, and assays. AI workflows are standardized as electronic lab notebook protocols, which makes them intuitive for chemists and reproducible across teams. Predictions, modelling tasks, and design iterations happen within a secure web interface, which keeps data protected while still making it easy to collaborate
SygDesign also incorporates chemist insight directly into the modelling process. This improves synthetic relevance, strengthens prioritization decisions, and increases the likelihood that proposed generative AI structures can be made and tested efficiently. Real‑time feasibility checks help focus effort on compounds that are both valuable and practical to synthesize. This human-in-the-loop approach is particularly important for generative design, ensuring AI outputs remain grounded in real-world chemistry.
Why Choose Sygnature Discovery?
SygDesign is built on a modern MLOps infrastructure that connects AI engineering, cheminformatics, and medicinal chemistry. The platform brings AI into the everyday workflow rather than keeping it as a specialist‑only capability. This improves design speed and helps chemists make informed decisions without waiting for separate modelling cycles.
Our teams deploy both local and global machine learning models, depending on the data available. SHAP‑based model explanations help scientists understand why the model behaves the way it does, and structural mapping makes these insights easy to interpret.
SygDesign also supports scalable deployment across discovery programs. Role‑based access, project ring‑fencing, and secure workspace controls help maintain data integrity while still encouraging collaboration. Because workflows are customizable, teams can adapt the platform to their chemistry style, modalities, or predictive needs.
The result is a more connected approach to design. Chemists, computational scientists, and AI engineers work together in a unified system that speeds decision‑making, reduces licensing costs, and ensures that model outputs are interpretable and actionable.
Key Strengths
AI integrated directly into medicinal chemistry
SygDesign brings predictive modelling and compound evaluation into the everyday workflow. This helps chemists make informed design decisions using the latest data without needing to switch tools or wait for specialist input. Generative AI further enhances this by suggesting novel, project-relevant compound ideas directly within the same workflow
Real‑time prediction and modelling
The platform provides instant predictions for key properties such as LogD, solubility, pKa, and ADMET endpoints. This supports rapid design–test cycles and improves the confidence behind each design choice.
Scalable MLOps infrastructure
SygDesign is supported by a modern infrastructure built on KNIME Hub, PostgreSQL, and Python; enabling both predictive SygDesign is supported by a modern infrastructure built on KNIME Hub, PostgreSQL, and Python; enabling both predictive and generative models to be deployed reliably across multiple discovery programs.
Expert‑in‑the‑loop refinement
Medicinal chemists provide direct feedback that helps refine models and improve their practical relevance. This strengthens the alignment between AI outputs and real-world synthetic feasibility, which is critical for trustworthy generative design.
Customizable and reproducible workflows
AI protocols are embedded within the electronic lab notebook, making them intuitive to use and easy to standardize across teams. Workflows can be tailored to project‑specific endpoints or modalities, including generative design use cases.
Secure, accessible collaboration
A web‑based interface, role‑based authentication, and project ring‑fencing keep data protected while supporting seamless collaboration. This ensures that the entire team, not just specialists, can benefit from AI‑driven design.
Artificial intelligence (AI) holds immense potential to transform drug discovery, but…
Posters
FAQs
We support a broad range of target classes including physicochemical endpoints, ADMET and DMPK properties, and project-specific datasets.
SygDesign supports small molecules and can be adapted for additional modalities through flexible integration and modelling protocols.
We provide prediction workflows, modelling workflows, and design workflows. These include real-time property predictions, ADMET/DMPK modelling, SHAP-based explanations, semi‑automated model training, integration of global models, and ELN‑based documentation of modelling and design tasks.
Users access the platform through a secure web interface. Project ring‑fencing, authentication controls, and flexible integration with customer data formats help ensure smooth and secure collaboration.
Clients receive clear and interpretable results including SDF or CSV files, model metrics, SHAP-based explanations, and prioritized compound suggestions.
Related Solutions
We bring together a dynamic blend of new talent and experienced pharmaceutical industry experts from a round the world, delivering excellence across every stage of discovery.
Global chemistry expertise and tailored strategies combining medicinal, synthetic, and process capabilities advancing candidate-quality molecules with transparent collaboration.
Combining AI-driven design, bespoke ML models and LLM-powered bioinformatics with hands-on collaboration to help you discover Optimized drug candidates faster.
Our Computer Aided Drug Design (CADD) capabilities combine deep scientific expertise with advanced AI, machine learning, and informatics infrastructure to support smarter, faster decision-making across the drug discovery pipeline.
