Search Results for author:
Found 3 papers, 3 papers with code
TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design
Searching the vast chemical space for drug-like and synthesizable molecules with high binding affinity to a protein pocket is a challenging task in drug discovery.
PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling
Different pre-screening methods have been developed for rapid screening, but there is still a lack of structure-based methods applicable to various proteins that perform protein-ligand binding conformation prediction and scoring in an extremely short time.
Fragment-based molecular generative model with high generalization ability and synthetic accessibility
The high synthetic accessibility of the generated molecules is implicitly considered while preparing the fragment library with the BRICS decomposition method.
Cannot find the paper you are looking for? You can
Submit a new open access paper.
