top of page

The Drug Discovery Ecosystem is Evolving Rapidly -  Data is at the Core

Screenshot 2023-09-19 at

To develop new small drug molecules or biologically-derived products, AI-driven data processing serves as a tool that allows minimising time consuming biological testings while helping to select the most promising products to test.


Drug discovery is undergoing massive and rapid change - the rise of Artificial Intelligence and Machine Learning for Drug Discovery and the evolution of robotics-centric companies in the biomedical research space has enabled a new generation of companies to emerge: data-powered drug discovery companies that combine automation and data science.

Most Innovative R&D Approaches of AI in Biopharma: Denovo Sciences

Denovo Sciences is a deep tech company that created novel therapeutics using advanced AI technologies for the life sciences and healthcare sectors. They leverage the power of artificial intelligence and reinforcement learning (RL) to help organizations design or optimize chemical structures without high dependance on training datasets.

Denovo Platform is at the forefront of the RL revolution in the life sciences and healthcare industry, and their innovative solutions have the potential to transform the way drug discovery is performed in the future.

The company focuses on building RL algorithm to drive digital transformation of drug discovery, partnering with academic institutions, biotech companies and pharmaceuticals to develop novel therapeutic solutions.


Their AI technology and approach means they can discover and develop unique therapeutic opportunities faster. By combining their expertise with your scientific insights, disease knowledge and assets, they can accelerate treatments to rare disease patients.

Case Studies

Learn more about some of our ongoing collaborations with academic institutions.

Denovo collaborates with biotech and pharmaceutical companies to discover innovative therapeutics across a broad range of therapeutic fields.

Co-Development & Partnering

Academic Partnerships

Denovo Sciences collaborates with academic institutions to push forward cutting-edge methods in the field of drug discovery.

Collaboration with CIRI

Pan coronavirus inhibitors


Drug Discovery Services

Denovo Sciences offers a comprehensive range of services in early-stage drug discovery, leveraging their AI-powered platform to expedite the drug discovery pipeline.

Antiviral agents against Dengue virus

Collaboration with ID Labs A*STAR

How Denovo Sciences Accelerates Drug Discovery using AI

The Denovo Sciences Platform is an innovative RL-based solution that improves the drug discovery process. By combining the Denovo Platform with advanced molecular simulations, it enables the design of optimal chemical structures that effectively target multiple important drug-like properties, resolving the challenge of multiparameter optimization in the pharmaceutical industry.

With a focus on novelty and accessibility, the Denovo Sciences platform generates thousands of unique and specific chemical structures within a short timeframe.

Screenshot 2023-09-19 at

Advantages of Denovo Sciences Platform

No dependency on dataset

Technology empowers scientists to work with targets where little or no dataset is available

No limitations on targets

Ability to generate drug candidates against any type of target (protein or RNA)

High novelty of generated molecules

Highly novel and synthesizable scaffolds

No inherited data biases

Injecting expert knowledge

Optimization of the algorithm based on the expert feedback

Platform optimisation capabilities

Simultaneous optimization of metrics

Custom scores can be developed by chemists

Ability to request for integration of more metrics 

Optimization Metrics

Synthetic Accessibility

  • Ring Complexity Score

  • Commercial Availability Score

  • Synthesizability Score


  • Solubility

  • Molecular Weight

  • Toxic Substructures

  • Flexibility

  • Polar Surface Area

  • Bond donors/acceptors

  • 3D Shape

  • Hydrophobicity

Binding Affinity

  • Ligand - Protein(s)/ RNA/ Antitarget(s) Binding Energy Score

  • Selectivity Score

  • Key amino acid Interactions

bottom of page