Atomwise

What is Atomwise?

Atomwise transforms early-stage drug discovery by applying deep convolutional neural networks to analyze vast chemical spaces and predict how small molecules bind to protein targets. Its proprietary AtomNet® technology enables rapid screening of billions of compounds, overcoming traditional limitations in drug development. By focusing on challenging and previously undruggable targets, Atomwise streamlines hit discovery, lead optimization, and toxicity prediction to accelerate the path to new medicines. The platform supports pharmaceutical companies, biotech firms, and academic researchers with scalable, data-driven solutions that reduce time and cost in preclinical research.

Key Features

• AtomNet® Deep Learning Engine

  Utilizes a patented structure-based convolutional neural network to predict binding affinity between molecules and protein targets with high precision.

• Massive Virtual Screening

  Capable of screening billions of chemical compounds in silico, enabling exploration of vast chemical spaces beyond traditional libraries.

• Targeting Undruggable Proteins

  Effective for drug discovery on challenging targets without requiring crystal structures or extensive ligand data.

• Scalable and Rapid Discovery

  Industrialized platform that accelerates hit identification and lead optimization, reducing drug discovery timelines from years to weeks.

• Collaborative Research Network

  Partners with pharmaceutical companies, academic institutions, and research organizations to validate and expand drug discovery applications.

Use Cases

• Hit Discovery : Rapid identification of promising small molecule candidates for further development in early drug discovery stages.
• Lead Optimization : Refinement of molecular properties to improve efficacy, safety, and drug-like characteristics of candidate compounds.
• Drug Repurposing : Screening existing drugs for new therapeutic uses to expedite clinical development and reduce costs.
• Targeting Rare and Complex Diseases : Application in discovering treatments for diseases with limited therapeutic options, including oncology and neurological disorders.
• Toxicity Prediction : Early assessment of potential adverse effects to prioritize safer drug candidates.

FAQs