145 citations · 146 across the 2 of their papers we have counts for
2 papers
q-bio.BM2020★ 1 cited
Generative network complex for the automated generation of druglike molecules
Kaifu Gao, Duc D Nguyen, Meihua Tu +1
Current drug discovery is expensive and time-consuming. It remains a challenging task to create a wide variety of novel compounds with desirable pharmacological properties and chea…
q-bio.BM2019★ 145 cited
Are 2D fingerprints still valuable for drug discovery?
Kaifu Gao, Duc Duy Nguyen, Vishnu Sresht +3
Recently, molecular fingerprints extracted from three-dimensional (3D) structures using advanced mathematics, such as algebraic topology, differential geometry, and graph theory ha…