5 papers
LLM: Multi-view Molecular Representation Learning with Large Language Models
Jiaxin Ju, Yizhen Zheng, Huan Yee Koh +2
Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods,…
ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
Zhuo Chen, Yizhen Zheng, Huan Yee Koh +4
Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development…
Collaborative Expert LLMs Guided Multi-Objective Molecular Optimization
Jiajun Yu, Yizhen Zheng, Huan Yee Koh +3
Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error…
Large Language Models in Drug Discovery and Development: From Disease Mechanisms to Clinical Trials
Yizhen Zheng, Huan Yee Koh, Maddie Yang +5
The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding dis…
A Survey on Graph Neural Networks for Time Series: Forecasting, Classification, Imputation, and Anomaly Detection
Ming Jin, Huan Yee Koh, Qingsong Wen +5
Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time…