Computer Aided Drug Design (CADD)

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.

From structure-based and ligand-based design to predictive modeling and secure data access, we tailor every solution to your program, helping you uncover novel compounds, reduce risk, and accelerate progress toward the clinic.

Sygnature Discovery delivers advanced CADD solutions that help you design better compounds, faster. Our CADD department draws on decades of experience and encompasses scientists with diverse backgrounds in molecular modelling, data mining, chemical informatics and bioinformatics offering computational chemistry support on projects.

We creatively apply a wide range of structure-based drug design (SBDD), ligand-based drug design (LBDD), virtual screening, ADMET prediction, machine learning and Artificial Intelligence tools to address project needs. Our computational scientists work side-by-side with medicinal chemists, bioscientists, and DMPK experts, both at Sygnature and within your team to solve problems collaboratively and reduce timelines.

Our informatics team ensures that all data generated in-house, or externally, is securely accessible to you and your collaborators, enabling timely, informed decisions at every step.

• Bioinformatics

• Target Analysis

• Virtual Screening

• Structure Based Drug Design

• Generative AI and Machine Leargnin

• Ligand Based Drug Design

• Library Design

• ADMET Predictions

• Informatics