Student-Founded Company Insightchemy Technology Secures Several Million RMB in Angel Investment from MiraclePlus
Recently, Insightchemy Technology, a company founded by Tian Yang, a doctoral student in the research group, completed an angel financing round of several million RMB from Mir…
Angewandte Chemie International Edition | Enhancing Enzyme Activity with Mutation Combinations Guided by Few-shot Learning and Causal Inference
ABSTRACT: Designing enzyme sequences to enhance product yield represents a fundamental challenge in metabolic engineering. Here, we established a workflow that integrates comp…
Chemical Science | Improving the accuracy and generalizability of molecular property regression models with a substructure-substitution-rule-informed framework
ABSTRACT: Artificial Intelligence (AI)-aided drug discovery is an active research field, yet AI models often exhibit poor accuracy in regression tasks for molecular property p…
Digital Discovery | Reaction center prediction by analyzing attention of a chemical language model
ABSTRACT: Pretrained chemical language models are widely used to predict molecular properties and chemical reactions, yet interpreting their internal attention mechanisms rema…
arXiv | An Interpretable Framework Applying Protein Words to Predict Protein-Small Molecule Complementary Pairing Rules
ABSTRACT: Despite the high accuracy of 'black box' deep learning models, drug discovery still relies on protein-ligand interaction principles and heuristics. To improve interp…
iscience | Predicting Protein-Nucleic Acid Interactions via Protein Language Models with Biophysical and Evolutionary Priors
ABSTRACT: Protein interactions with nucleic acids are fundamental to numerous biological processes. Here, we present PNABPred, a multi-modal framework that integrates biophysi…
Congratulations on the Acceptance of a Paper by Dr. Hedi Chen in Advanced Science
Recently, a research article authored by Dr. Hedi Chen, a PhD graduate from our research group, entitled “Automatically Defining Protein Words for Diverse Functional Predictio…
Advanced Science | Automatically Defining Protein Words for Diverse Functional Predictions Based on Attention Analysis of a Protein Language Model
ABSTRACT: Understanding the relationship between protein sequence and function remains a longstanding challenge in bioinformatics, and to date the lion's share of related tool…
