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AI-Driven Discovery
Reshaping Biomedical Frontiers

AI-driven drug discovery using our proprietary AI-powered platform, MoleculeGEN.

AI-Driven Discovery Reshaping Biomedical Frontiers By Knowdis
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.

Multidisciplinary Expertise By Moleculeai
Antibody Design By Moleculeai

Antibody Design

Drug design remains a challenging endeavor due to the complexity of the involved design space. Artificial Intelligence provides a unique shot at the problem due to its capability of enabling efficient horizon exploration.

We are applying our AI capabilities in screening and de novo generation of antibodies and small molecule drugs against challenging targets such as intrinsically disordered pathogenic proteoforms involved in Parkinson’s disease.

Multidisciplinary Expertise

Our team consists of an ideal mix of members having strong experience in both the fields of biophysics and AI. We strongly believe in the importance of a multidisciplinary team for tackling the problem.

Multidisciplinary Expertise By Moleculeai
Biophysics Meets Deep Learning

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.

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Molecule GEN

Platform by Molecule AI

Try Molecule GEN

One of a kind integrated drug discovery platform

De novo target aware molecule generation (hit-generation)

Hit to lead and lead optimization capabilities

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