Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that do not yet have high-quality 3D structures available.

Using deep learning to generate novel molecules as candidates for binding with coronavirus protease

Create a bioactivity prediction model using molecular descriptors (PADEL) and supervised machine learning (ML).

Manon Réau, Bonvin Lab, CSB, UU, CNAM, GBCM, NR-DBIND, CADD, drug design, chemoinformatics, Theranalpha, TNF, Nuclear Receptors, negative data, benchmark

drug design university project by group nr 4