Topics
Browse all AI drug discovery briefings by topic.
Molecular Generation
10 briefings
- MD/ML hybrid predicts koff within 3-fold error on 70 fragment-like ligands
- RL-GA Balances Drug Properties; AI Blockers Cut Rat Pain; 80 % Linkers Pass
- RL-guided diffusion docks unseen pockets at 11.5%; XAI spots key ligand atoms
Protein Structure
2 briefings
- RL-GA Balances Drug Properties; AI Blockers Cut Rat Pain; 80 % Linkers Pass
- Quantum-informed hops yield sub-μM natural-product α-glucosidase hits
Docking & Binding
10 briefings
- MD/ML hybrid predicts koff within 3-fold error on 70 fragment-like ligands
- RL-GA Balances Drug Properties; AI Blockers Cut Rat Pain; 80 % Linkers Pass
- RL-guided diffusion docks unseen pockets at 11.5%; XAI spots key ligand atoms
Screening & Target Discovery
3 briefings
- Diffusion model hits sub-Å RMSD on NCAA cyclic peptide 3-D conformers
- Quantum-informed hops yield sub-μM natural-product α-glucosidase hits
- AI yields sub-µM CDK16 hits & AR PROTACs active in CRPC mice
ADMET & Properties
3 briefings
- Diff-Shape keeps 3D shape for KRAS/EGFR; BRADSHAW yields ERAP1 tools in 4 AI rounds
- Diffusion captures pocket motion; RL boosts syn. hit rate 6×
- AI yields sub-µM CDK16 hits & AR PROTACs active in CRPC mice
Omics & Biomarkers
4 briefings
- RL-guided diffusion docks unseen pockets at 11.5%; XAI spots key ligand atoms
- Diff-Shape keeps 3D shape for KRAS/EGFR; BRADSHAW yields ERAP1 tools in 4 AI rounds
- AI yields sub-µM CDK16 hits & AR PROTACs active in CRPC mice
Antibody & Biologics
4 briefings
- 26M VHH affinities train atlas, yeast profiling picks synthetic epitopes
- MD/ML hybrid predicts koff within 3-fold error on 70 fragment-like ligands
- RL-guided diffusion docks unseen pockets at 11.5%; XAI spots key ligand atoms