Yahui X. Cao

No. 92, Weijin Road
Tianjin, 300072, China

Last Updated: 09/26/2026

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Found 12 publications

A Novel Metabolic Pathway Design Method Based on Evolutionary Algorithms and Metabolic Network Evaluation.

A Novel Metabolic Pathway Design Method Based on Evolutionary Algorithms and Metabolic Network Evaluation.

Journal: Journal of chemical information and modeling

Published: February 03, 2026

From structural evolution to an AI-driven future of 5-HT1F receptor agonists for migraine therapy.

From structural evolution to an AI-driven future of 5-HT1F receptor agonists for migraine therapy.

Journal: European journal of medicinal chemistry

Published: January 26, 2026

Chemiluminescence-Powered Immunotherapy for Deep Tumors: Promoting PD-L1 Degradation and Igniting Pyroptosis Through Subcellular Trafficking and Targeting.

Chemiluminescence-Powered Immunotherapy for Deep Tumors: Promoting PD-L1 Degradation and Igniting Pyroptosis Through Subcellular Trafficking and Targeting.

Journal: Advanced materials (Deerfield Beach, Fla.)

Published: October 04, 2025

Molecular Property Prediction Based on Improved Graph Transformer Network and Multitask Joint Learning Strategy.

Molecular Property Prediction Based on Improved Graph Transformer Network and Multitask Joint Learning Strategy.

Journal: Journal of chemical information and modeling

Published: September 24, 2025

Cell Membrane-Targeted J-Aggregation Strategy for Synergistic Immune Checkpoint Degradation and Immunogenic Pyroptosis to Augment Tumor Immunotherapy.

Cell Membrane-Targeted J-Aggregation Strategy for Synergistic Immune Checkpoint Degradation and Immunogenic Pyroptosis to Augment Tumor Immunotherapy.

Journal: Angewandte Chemie (International ed. in English)

Published: July 22, 2025

A Multiple Environmental Parameters and Molecular Fingerprints Contribution model for prediction of Gibbs free energy.

A Multiple Environmental Parameters and Molecular Fingerprints Contribution model for prediction of Gibbs free energy.

Journal: Computational biology and chemistry

Published: April 13, 2025

HiRXN: Hierarchical Attention-Based Representation Learning for Chemical Reaction.

HiRXN: Hierarchical Attention-Based Representation Learning for Chemical Reaction.

Journal: Journal of chemical information and modeling

Published: February 04, 2025

Unlocking the Power of Photothermal Agents: A Universal Platform for Smart Immune NIR-Agonists for Precise Cancer Therapy.

Unlocking the Power of Photothermal Agents: A Universal Platform for Smart Immune NIR-Agonists for Precise Cancer Therapy.

Journal: Angewandte Chemie (International ed. in English)

Published: December 18, 2024

A small-scale data driven and graph neural network based toxicity prediction method of compounds.

A small-scale data driven and graph neural network based toxicity prediction method of compounds.

Journal: Computational biology and chemistry

Published: December 01, 2024

Near-Infrared-II-Activated Transition Metal(II)-Coordinated Ligand Radical Primes Robust Anticancer Immunity.

Near-Infrared-II-Activated Transition Metal(II)-Coordinated Ligand Radical Primes Robust Anticancer Immunity.

Journal: Journal of medicinal chemistry

Published: November 25, 2024

Devising Biocompatible, NIR-Activated Helical Pyroptosis Agents via 𝛑-Twisting Strategy for Promoting Antitumor Immunity.

Devising Biocompatible, NIR-Activated Helical Pyroptosis Agents via 𝛑-Twisting Strategy for Promoting Antitumor Immunity.

Journal: Small (Weinheim an der Bergstrasse, Germany)

Published: July 03, 2024

Secondhand cigarette smoke exposure causes upregulation of cerebrovascular 5-HT(1) (B) receptors via the Raf/ERK/MAPK pathway in rats.

Secondhand cigarette smoke exposure causes upregulation of cerebrovascular 5-HT(1) (B) receptors via the Raf/ERK/MAPK pathway in rats.

Journal: Acta physiologica (Oxford, England)

Published: April 04, 2012

Showing 1-12 of 12

Last Updated: 09/26/2026