Search Results for author: Ayush Noori

Found 7 papers, 2 papers with code

Multi-objective generative AI for designing novel brain-targeting small molecules

no code implementations16 Apr 2024 Ayush Noori, Iñaki Arango, William E. Byrd, Nada Amin

We design a library of 26, 581 novel and diverse small molecules containing hits with high predicted BBB permeability and favorable predicted safety and toxicity profiles, and that could readily be synthesized for experimental validation in the wet lab.

Graph Neural Network Molecular Docking

Empowering Biomedical Discovery with AI Agents

no code implementations3 Apr 2024 ShangHua Gao, Ada Fang, Yepeng Huang, Valentina Giunchiglia, Ayush Noori, Jonathan Richard Schwarz, Yasha Ektefaie, Jovana Kondic, Marinka Zitnik

We envision "AI scientists" as systems capable of skeptical learning and reasoning that empower biomedical research through collaborative agents that integrate AI models and biomedical tools with experimental platforms.

Continual Learning Navigate

Graph AI in Medicine

no code implementations20 Oct 2023 Ruth Johnson, Michelle M. Li, Ayush Noori, Owen Queen, Marinka Zitnik

With diverse data -- from patient records to imaging -- GNNs process data holistically by viewing modalities as nodes interconnected by their relationships.

Decision Making Graph Representation Learning +1

Multimodal learning with graphs

no code implementations7 Sep 2022 Yasha Ektefaie, George Dasoulas, Ayush Noori, Maha Farhat, Marinka Zitnik

Artificial intelligence for graphs has achieved remarkable success in modeling complex systems, ranging from dynamic networks in biology to interacting particle systems in physics.

Graph Learning Inductive Bias +1

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