Côd QR

UnCorrupt SMILES: a novel approach to de novo design

Abstract Generative deep learning models have emerged as a powerful approach for de novo drug design as they aid researchers in finding new molecules with desired properties. Despite continuous improvements in the field, a subset of the outputs that sequence-based de novo generators produce cannot b...

Disgrifiad llawn

Wedi'i Gadw mewn:
Prif Awduron: Linde Schoenmaker, Olivier J. M. Béquignon, Willem Jespers, Gerard J. P. van Westen
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: BMC 2023-02-01
Cyfres:Journal of Cheminformatics
Pynciau:
SMILES correction
Invalid SMILES
Molecular transformer
De novo drug design
Analog generation
Mynediad Ar-lein:https://doi.org/10.1186/s13321-023-00696-x
Tagiau: Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!

Eitemau Tebyg