AI-Driven Discovery
Reshaping Biomedical Frontiers
AI-driven drug discovery using our proprietary AI-powered platform, MoleculeGEN.
Awards
Join us in celebrating remarkable achievements and groundbreaking contributions that inspire the future.
See All AwardsBioSpectrum Asia Excellence Awards 2024
Molecule AI was honored with the "Emerging AI-Powered Drug Discovery Platform" award at the prestigious BioSpectrum Asia Excellence Awards 2024, held on December 6th in Singapore. This recognition highlights our innovative contributions to advancing drug discovery through cutting-edge AI solutions.
This honor stands as a testament to our team's commitment to innovation and excellence in drug discovery through AI. Hear from our visionary founder on how this milestone strengthens our mission to create transformative healthcare solutions. Let’s continue driving the future of science and technology together! Read More
How We're Harnessing AI to Transform Drug Discovery
De Novo Drug Design
De novo drug design is a computational approach that generates novel molecular structures from atomic building blocks without relying on previously known compounds as starting points. It aims to automate the creation of new chemical entities tailored to specific molecular characteristics.
Using our proprietary AI-driven computational tools, de novo design creates novel, drug-like small molecules for particular targets, including those related to diseases with high unmet needs.
Lead Optimization
Ease the generation and optimization of lead molecules with the Molecule GEN suite of tools. Predict the ADMET and drug-likeness properties of your hits in a few clicks, and perform docking and non-covalent interaction analysis against desired targets to zero in on leads.
Use our AI algorithms to accelerate the generation of QSARs and modify leads to optimize specified properties, increasing your probability of success in cell and animal models.
Multidisciplinary Expertise
Our team consists of an ideal mix of multidisciplinary capabilities, with AI experts working seamlessly together with experienced computational and medicinal chemists. We strongly believe in the importance of a multidisciplinary team for tackling the problem.
Biophysics Meets Deep Learning
Deep Learning has revolutionized many fields but still remains in the nascent stages for drug design. Models like AlphaFold provide a strong foundation for the field but end-to-end solutions need to go far beyond. Hence, we develop novel architectures, built using biophysics principles at the core.
