Aethermol
Features
Advantages of Aethermol
Explore the key features of Aethermol for drug design.
Fast candidate design
Design millions of promising molecule candidates in days with cutting-edge generative AI technology.
Physics-based grounding
Ground the AI model with highly accurate molecular dynamics-based absolute binding free energy (ABFE) calculations.
Synthesizable and drug-like candidates
Ensure high synthetic accessibility and drug-likeness compounds with similar properties to Enamine REAL.
Customizable AI solutions
Offer fully customizable solutions for new targets and any combinations of desirable properties.
Example
Explore compounds generated by Aethermol
These example compounds were generated for the estrogen receptor alpha (ERα), a well-known target with many approved therapeutics.
Strong predicted binding
ABFE scores, the gold standard for computational binding affinity prediction, are shown for each generated compound. ABFE scores for approved drugs of the estrogen receptor fall in the range of -10 to -25 kcal/mol. Many Aethermol-generated compounds fall within this range, demonstrating their potential as viable drug candidates.
High synthetic accessibility
Many of these compounds are likely to be readibly synthesizable, requiring only a few steps to produce.
Diverse and novel candidates
The top scoring compounds show high structural diversity, with many novel scaffolds not previously reported in the literature.
