NatmolAI™: Computational Expansion and Optimization of Natural-Product Chemical Space
Ainnocence launched NatmolAI™, an AI engine for designing natural-product-inspired small molecules. It tackles traditional discovery limitations like scarcity and complexity by computationally exploring and optimizing chemical space. Leveraging an 800k+ natural-product library, NatmolAI™ uses generative AI and multi-objective optimization to predict developability and deliver high-confidence leads swiftly. This 'design-by-sequence' approach enables sustainable, green drug discovery with improved safety and tolerability, accelerating the development of bioactive compounds.
Ainnocence, a next-generation AI-driven biotechnology company, has launched NatmolAI™, its Natural Molecule AI Engine. This sequence-first molecular design platform focuses on discovering and engineering natural-product-inspired small molecules and bioactive compounds. Traditional natural product research is constrained by scarcity, structural complexity, and limited tunability, relying on slow, physical isolation methods. NatmolAI™ revolutionizes this by decoupling molecular design from physical isolation, enabling the computational exploration, expansion, and optimization of complex natural chemical space.The platform utilizes an 800k+ curated natural-product library with source origin tracking. By shifting to a 'design-by-sequence' approach, NatmolAI™ generates large populations of candidate molecules in silico, evaluating up to 10 billion chemical spaces rapidly. It employs generative AI modeling and multi-objective optimization to prioritize candidates based on predicted target relevance, physicochemical balance, stability, and early safety signals, moving beyond single-property design. This process delivers high-confidence hit lists in hours and experimentally validated leads within a month, significantly reducing R&D timelines and costs. NatmolAI™ supports applications like nutraceutical development and green drug discovery, offering compounds with lower toxicity and superior tolerability, aligning with the goal to 'understand and extend natural products' rather than replace them.
