Atomwise is a biotechnology company specializing in AI-powered drug discovery, recognized as the first organization to apply deep learning to structure-based drug design. The company’s approach leverages artificial intelligence to predict how small-molecule drug candidates interact with target proteins, accelerating the development of novel therapeutics—especially against previously “undruggable” targets.

Technology and Research Approach

The company’s core technology, AtomNet®, is a deep convolutional neural network (CNN) platform that models molecular recognition processes with high precision. Adapted from computer vision technologies, AtomNet® predicts protein–ligand binding sites and their affinities directly from 3D structural data.

Unlike traditional methods, AtomNet® can perform large-scale virtual screening across trillions of molecules without requiring prior crystal structures or ligand training for each target. This enables highly efficient exploration of chemical space and rapid identification of viable candidates.

The platform continuously improves its predictive accuracy through network effects—integrating new biochemical, structural, and experimental data from global research collaborations into its models.

Atomwise applies this technology across multiple therapeutic domains, developing preclinical small-molecule candidates in oncology, metabolic disorders, neurodegenerative diseases, and infectious diseases.

Collaborations and Research Network

Atomwise partners with over 250 global institutions across more than 600 disease targets. Its collaborators include major pharmaceutical companies, biotechnology firms, and agricultural chemistry organizations.

The company operates through collaboration, licensing, and co-development models, advancing its internal drug pipeline while enabling external partners to accelerate their discovery programs.

Leadership and Governance

Atomwise’s leadership team includes industry veterans with extensive backgrounds in pharmaceutical R&D:

• Steve Worland, Ph.D. – Chief Executive Officer (CEO), formerly at Roche and Pfizer
• Abraham Heifets, Ph.D. – Co-founder
• Izhar Wallach, Ph.D. – Co-founder and Chief Technology Officer (CTO)

Scientific Advisory Board:

• Dr. Kemal Malik – Former Executive Board Member, Bayer
• Dr. Mike Varney – Former Head of R&D, Genentech

The advisory board guides Atomwise’s scientific direction and strategic research initiatives.

Funding and Recognition

Atomwise has raised over USD 174 million from leading venture capital firms to expand its AI-driven discovery infrastructure.

The company has been recognized in:

• CB Insights AI 100
• Forbes AI 150
• MIT Technology Review – Breakthrough Technologies (2020)

These recognitions highlight Atomwise’s leadership in applying deep learning to molecular and pharmaceutical innovation.

Vision and Future Outlook

Atomwise envisions an era where artificial intelligence is the central pharmaceutical discovery engine. Its mission is to drastically reduce drug development costs, time, and failure rates by building systems that can identify and optimize therapeutic candidates with unprecedented accuracy and speed. By uniting AI algorithms, large-scale biological data, and computational power, Atomwise aims to make drug discovery faster, more predictive, and more accessible worldwide.