Traversing chemical space with active deep learning
D van Tilborg, F Grisoni - 2023 - chemrxiv.org
Deep learning is accelerating drug discovery. However, current approaches are often
affected by limitations in the available data, eg, in terms of size or molecular diversity. Active …
affected by limitations in the available data, eg, in terms of size or molecular diversity. Active …
Traversing Chemical Space with Active Deep Learning: A Computational Framework for Low-data Drug Discovery
D van Tilborg, F Grisoni - 2024 - chemrxiv.org
Deep learning is accelerating drug discovery. However, current approaches are often
affected by limitations in the available data, eg, in terms of size or molecular diversity. Active …
affected by limitations in the available data, eg, in terms of size or molecular diversity. Active …