48 citations · 48 across the 2 of their papers we have counts for
3 papers
q-bio.BM2023★ 48 cited
Docking-based generative approaches in the search for new drug candidates
Tomasz Danel, Jan Łęski, Sabina Podlewska +1
Despite the great popularity of virtual screening of existing compound libraries, the search for new potential drug candidates also takes advantage of generative protocols, where n…
q-bio.BM2022
Low cost prediction of probability distributions of molecular properties for early virtual screening
Jarek Duda, Sabina Podlewska
While there is a general focus on predictions of values, mathematically more appropriate is prediction of probability distributions: with additional possibilities like prediction o…
q-bio.BM2020
We Should at Least Be Able to Design Molecules That Dock Well
Tobiasz Cieplinski, Tomasz Danel, Sabina Podlewska +1
Designing compounds with desired properties is a key element of the drug discovery process. However, measuring progress in the field has been challenging due to the lack of realist…