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How to Build the Virtual Cell with Artificial Intelligence: Priorities and Opportunities

18 September 2024
Charlotte Bunne
Yusuf Roohani
Yanay Rosen
Ankit Gupta
Xikun Zhang
Marcel Roed
Theo Alexandrov
Mohammed AlQuraishi
Patricia Brennan
Daniel B. Burkhardt
Andrea Califano
J. Cool
A. Dernburg
Kirsty Ewing
Emily B. Fox
Matthias Haury
Amy E. Herr
Eric Horvitz
Patrick D. Hsu
Viren Jain
Gregory R. Johnson
Thomas Kalil
David R. Kelley
S. Kelley
Anna Kreshuk
Tim Mitchison
Stephani Otte
J. Shendure
N. Sofroniew
Fabian J. Theis
Christina V. Theodoris
S. Upadhyayula
M. Valer
Bo Wang
Eric Xing
Serena Yeung-Levy
Marinka Zitnik
Theofanis Karaletsos
Aviv Regev
Emma Lundberg
J. Leskovec
Stephen R. Quake
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Abstract

The cell is arguably the most fundamental unit of life and is central to understanding biology. Accurate modeling of cells is important for this understanding as well as for determining the root causes of disease. Recent advances in artificial intelligence (AI), combined with the ability to generate large-scale experimental data, present novel opportunities to model cells. Here we propose a vision of leveraging advances in AI to construct virtual cells, high-fidelity simulations of cells and cellular systems under different conditions that are directly learned from biological data across measurements and scales. We discuss desired capabilities of such AI Virtual Cells, including generating universal representations of biological entities across scales, and facilitating interpretable in silico experiments to predict and understand their behavior using virtual instruments. We further address the challenges, opportunities and requirements to realize this vision including data needs, evaluation strategies, and community standards and engagement to ensure biological accuracy and broad utility. We envision a future where AI Virtual Cells help identify new drug targets, predict cellular responses to perturbations, as well as scale hypothesis exploration. With open science collaborations across the biomedical ecosystem that includes academia, philanthropy, and the biopharma and AI industries, a comprehensive predictive understanding of cell mechanisms and interactions has come into reach.

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