How can SHAP values help to shape metabolic stability of chemical compounds?

por Wojtuch, Agnieszka, Jankowski, Rafał, Podlewska, Sabina
Publicado 2021

Generation of new inhibitors of selected cytochrome P450 subtypes– In silico study

por Danel, Tomasz, Wojtuch, Agnieszka, Podlewska, Sabina
Publicado 2022

Extended study on atomic featurization in graph neural networks for molecular property prediction

por Wojtuch, Agnieszka, Danel, Tomasz, Podlewska, Sabina, Maziarka, Łukasz
Publicado 2023

2D SIFt: a matrix of ligand-receptor interactions

por Mordalski, Stefan, Wojtuch, Agnieszka, Podolak, Igor, Kurczab, Rafał, Bojarski, Andrzej J.
Publicado 2021