RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions

Xiaorui Wang, Yuquan Li, Jiezhong Qiu, +5

Chemical Engineering Journal

BiosynthesisFunctional GenomicsEngineeringComputational BiologyMolecular Biology +5

TrimNet: learning molecular representation from triplet messages for biomedicine

Pengyong Li, Yuquan Li, Chang‐Yu Hsieh, +5

Briefings in Bioinformatics

An adaptive graph learning method for automated molecular interactions and properties predictions

Yuquan Li, Chang‐Yu Hsieh, Ruiqiang Lu, +11

Nature Machine Intelligence

EngineeringGraph TheoryData ScienceInteractomicsProperties Predictions +11

A membrane algorithm with quantum-inspired subalgorithms and its application to image processing

Gexiang Zhang, Marian Gheorghe, Yuquan Li

Natural Computing

Quantum ScienceImage ProcessingEngineeringQuantum ComputingQuantum Optimization Algorithm +6

Multi-objective ant colony optimization based on decomposition for bi-objective traveling salesman problems

Jixang Cheng, Gexiang Zhang, Zhidan Li, +1

Soft Computing

EngineeringHybrid AlgorithmIntelligent OptimizationTraveling Salesman ProblemSystems Engineering +6

Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites

Xiaorui Wang, Xiaodan Yin, Dejun Jiang, +12

Nature Communications

Pressure prediction and abnormal working conditions detection of water supply network based on LSTM

Zhe Xu, Zhihao Ying, Yuquan Li, +2

Water Science & Technology Water Supply

Artificial IntelligenceConvolutional Neural NetworkEngineeringMachine LearningWater Supply Network +16

Introducing block design in graph neural networks for molecular properties prediction

Yuquan Li, Pengyong Li, Xing Yang, +6

Chemical Engineering Journal

Graph Neural NetworksEngineeringGraph TheoryMolecular Properties PredictionGraph Neural Network +11

Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center

Xiaorui Wang, Chang‐Yu Hsieh, Xiaodan Yin, +12

Research

Artificial IntelligenceEngineeringMachine LearningChemistryData Science +21

Improving drug-target affinity prediction via feature fusion and knowledge distillation

Ruiqiang Lu, Jun Wang, Pengyong Li, +7

Briefings in Bioinformatics