1 citations · 2 across the 11 of their papers we have counts for
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FragmentGPT: A Unified GPT Model for Fragment Growing, Linking, and Merging in Molecular Design
Xuefeng Liu, Songhao Jiang, Qinan Huang +5
Fragment-Based Drug Discovery (FBDD) is a popular approach in early drug development, but designing effective linkers to combine disconnected molecular fragments into chemically an…
DrugImproverGPT: A Large Language Model for Drug Optimization with Fine-Tuning via Structured Policy Optimization
Xuefeng Liu, Songhao Jiang, Siyu Chen +4
Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a nove…
Causal Discovery over High-Dimensional Structured Hypothesis Spaces with Causal Graph Partitioning
Ashka Shah, Adela DePavia, Nathaniel Hudson +2
The aim in many sciences is to understand the mechanisms that underlie the observed distribution of variables, starting from a set of initial hypotheses. Causal discovery allows us…