AI for Drug Discovery refers to the use of artificial intelligence techniques to accelerate the identification, design, and optimization of therapeutic compounds. It applies methods such as machine learning, deep learning, and generative models to analyze biological data, predict molecular properties, and model interactions between drugs and targets. These approaches support tasks such as target identification, lead optimization, and clinical trial design, improving efficiency and reducing time and cost in pharmaceutical research.
Designing drug molecules is no longer just about generation, but control. NEC Laboratories America introduces MolDiffdAE, a diffusion-based framework that enables precise, multi-objective tuning of 3D molecular properties. By learning a semantic space, researchers can efficiently guide design, accelerating drug discovery and exploration of chemical space.
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NEC Laboratories America, Inc. (NEC Labs) is the US-based center for NEC Corporation’s global network of corporate research laboratories. Our diverse research groups collaborate with industry, academia and governments to provide disruptive solutions to complex problems. A leader in the integration of IT and network technologies with more than 100 years of expertise, NEC provides a combination of products and solutions that cross-utilize the company’s experience and global resources to meet the complex and ever-changing needs of its customers.