Yiwei Liu

7PUBLICATIONS
15CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomaterialsTheoretical quantum chemistryCloud physicsNonlinear optics and spectroscopy
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Publications (7)

|Aug 20, 2026
Structural Preferences and ADMET Regulation of Fluorinated Small-Molecule Drugs.

|Jul 20, 2026
MolT5-Linker: A Transformer-Based Sequence- and Putative Site-Guided Generative Framework for Antibody-Drug Conjugate Linkers.

|May 02, 2026
Insights Into Density Functional Performance From a Main-Group and Transition-Metal Molecular Benchmark.

|Nov 05, 2025
F-Site: Recognizing Fluorination Patterns in Small-Molecule Drugs via a Two-Stage Transformer-Based Model.

Yichu Wu, Xiang Lian, Shuai Tao

|Jan 04, 2024
Supervised learning of a chemistry functional with damped dispersion.

Yiwei Liu, Cheng Zhang, Zhonghua Liu

|Jan 04, 2022
Excited state photochemically driven surface formation of benzene from acetylene ices on Pluto and in the outer solar system.

N Fabian Kleimeier, Yiwei Liu, Andrew M Turner

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Frequent Collaborators

4 joint publications

Xiao He

3 joint publications

Jingjing Wu

2 joint publications

Xiang Lian

2 joint publications

Ying Wang