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Female scientist in a digital lab examining a test sample with graphical COVID-19 virus representations in the background.

Making the Digital Lab a Reality at Novartis with ZONTAL

Scientist at a computer in a lab with stylized DNA strands and chemical compounds overlaid.

Ensuring Scientific Reproducibility with a Sustainable FAIR Data Platform

Digital Lab

Data Centricity: Key for the Successful Digital Journey Towards a Digital Lab

Child's hand holding a molecular structure model with blue and gray atoms, set against a dark background.

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Disconnection-Aware Retrosynthesis

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Close-up view of the Atomium structure in Brussels, showcasing its interconnected spheres and steel beams against a cloudy sky.

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DiffDock – A Diffusion Model for Molecular Docking

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Diagram showing the process of RF Diffusion, illustrating the transformation of a scattered molecular structure into a folded protein.

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RFDiffusion – Leveraging the Power of DDPMs to Generate Protein Sequences and Structures

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Scientist wearing full protective gear and mask, using a pipette to transfer a liquid sample in a laboratory setting

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MILCDock – Machine Learning Consensus Docking

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Scientist wearing protective gloves and mask, using a dropper to handle a chemical sample in a laboratory setting.

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Reality or Illusion – What can AI do for Drug Discovery?

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Abstract digital landscape with green and blue pixelated data streams, representing data visualization and digital environments.

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DALL·E 2, Imagen, and Applications to Chemistry

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Collage of chemical structures, a test tube, and the periodic table representing advanced research and analysis in chemistry.

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Making Chemistry Knowledge Machine-Actionable

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Abstract image of digital interface circles with intricate patterns and glowing blue elements

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Transformer Retrosynthesis

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Data transmission channel. Motion of digital data flow. Transferring of big data.

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Perspective: Interaction Networks and AI for Structure-Based Drug Discovery

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