Pinned post
Shirui Pan
@ShiruiPan
Prof and ARC Future Fellow @ Griffith University, Australia. Researcher in Graph Machine Learning, KGs, LLMs, Time Series.
184 Following 588 Followers 125 Posts
Latest posts 5
Thrilled to have the new work published at Nature Machine Intelligence.
Check out our new survey. LLMs have broad impacts on every stage of drug discovery, from understanding disease mechanisms to virtual screening to clinical trials.
Large Language Models in Drug Discovery and Development: From Disease Mechanisms to Clinical Trials @geochurchView quoted post on X
1. This review explores the transformative potential of Large Language Models (LLMs) in drug discovery and development, from understanding disease mechanisms to optimizing clinical trials.
2. LLMs, like Geneformer and Chemcrow, are enabling unprecedented advancements in disease modeling, identifying therapeutic targets, and automating complex chemistry experiments.
3. A major highlight is how LLMs can reduce the time and cost of drug discovery by automating processes like molecule generation, reaction prediction, and protein-ligand interaction analysis.
4. The study presents the future of clinical trials, where LLMs streamline patient-trial matching, design trial protocols, and even predict trial outcomes by analyzing electronic health records.
5. In silico applications of LLMs now enable the design of novel therapeutic molecules, advancing areas like gene therapy and personalized medicine.
6. The role of LLMs in functional genomics, protein design, and biomolecular interaction prediction is leading to breakthroughs in target identification and validation.
7. This comprehensive framework showcases the broad impact of LLMs in every stage of drug discovery, pushing the boundaries of AI integration in pharmaceutical sciences.
@huanyeekoh @ShiruiPan
๐Paper: arxiv.org/abs/2409.04481โฆ
[๐๐๐๐ 2024, ๐๐ฉ๐๐ง ๐๐จ๐ฎ๐ซ๐๐, ๐๐ข๐ฆ๐ ๐๐๐ซ๐ข๐๐ฌ ๐
๐จ๐ซ๐๐๐๐ฌ๐ญ๐ข๐ง๐ ๐ฐ๐ข๐ญ๐ก ๐๐๐]
Glad to share our work, "๐๐ข๐ฆ๐-๐๐๐: ๐๐ข๐ฆ๐ ๐๐๐ซ๐ข๐๐ฌ ๐ ๐จ๐ซ๐๐๐๐ฌ๐ญ๐ข๐ง๐ ๐๐ฒ ๐๐๐ฉ๐ซ๐จ๐ ๐ซ๐๐ฆ๐ฆ๐ข๐ง๐ ๐๐๐ซ๐ ๐ ๐๐๐ง๐ ๐ฎ๐๐ ๐ ๐๐จ๐๐๐ฅ๐ฌ".
Glad to share our work, "๐๐ข๐ฆ๐-๐๐๐: ๐๐ข๐ฆ๐ ๐๐๐ซ๐ข๐๐ฌ ๐ ๐จ๐ซ๐๐๐๐ฌ๐ญ๐ข๐ง๐ ๐๐ฒ ๐๐๐ฉ๐ซ๐จ๐ ๐ซ๐๐ฆ๐ฆ๐ข๐ง๐ ๐๐๐ซ๐ ๐ ๐๐๐ง๐ ๐ฎ๐๐ ๐ ๐๐จ๐๐๐ฅ๐ฌ".
[GNNs + Time Series] Time series data is omnipresent, with graph neural networks (GNNs) emerging as a powerful tool for its analysis. We have recently encapsulated the progressive strides of GNNs in time series analysis (GNN4TS).
ArXiv: arxiv.org/abs/2307.03759
ArXiv: arxiv.org/abs/2307.03759