88 citations · 89 across the 2 of their papers we have counts for
3 papers
quant-ph2022★ 1 cited
Quantum Simulation of Preferred Tautomeric State Prediction
Yu Shee, Tzu-Lan Yeh, Jen-Yueh Hsiao +3
Prediction of tautomers plays an essential role in computer-aided drug discovery. However, it remains a challenging task nowadays to accurately predict the canonical tautomeric for…
quant-ph2022★ 88 cited
Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry
Po-Yu Kao, Ya-Chu Yang, Wei-Yin Chiang +8
De novo drug design with desired biological activities is crucial for developing novel therapeutics for patients. The drug development process is time and resource-consuming, and i…
q-bio.QM2021
Combating small molecule aggregation with machine learning
Kuan Lee, Ann Yang, Yen-Chu Lin +3
Biological screens are plagued by false positive hits resulting from aggregation. Thus, methods to triage small colloidally aggregating molecules (SCAMs) are in high demand. Herein…