Yuling An

Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model Visualization

Yuling An, Woody Sherman, Steven L. Dixon · Journal of Chemical Information and Modeling · 2013 · 69 citations

Pharmacy, Medicinal Chemistry, Drug Design +16

Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations

H. Shaun Kwak, Yuling An, David J. Giesen et al. · Frontiers in Chemistry · 2022 · 39 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Design and Synthesis of Novel Oxime Ester Photoinitiators Augmented by Automated Machine Learning

Won Jung Lee, H. Shaun Kwak, Deuk-rak Lee et al. · Chemistry of Materials · 2021 · 24 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

Active Learning Accelerates Design and Optimization of Hole-Transporting Materials for Organic Electronics

Hadi Abroshan, H. Shaun Kwak, Yuling An et al. · Frontiers in Chemistry · 2022 · 24 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Hole filling and library optimization: Application to commercially available fragment libraries

Yuling An, Woody Sherman, Steven L. Dixon · Bioorganic & Medicinal Chemistry · 2012 · 16 citations

Pharmacy, Computer Science, Medicinal Chemistry +12