Activity and ADMET Prediction

Accelerate drug-discovery with activity and ADMET prediction using state-of-the-art pipelines that guarantee full data privacy

Knowledge Graph for Drug Discovery

Extract insights from your data and publicly available data using knowledge graphs. Predict biological targets, repurpose drugs, integrate systems-biology information and much more

Tailored AI Solutions for Biotech

We listen to you, understand your needs and develop an end-to-end and plug-and-play solution

Business Case

Challenge
Predict activity and ADMET properties without sharing proprietary datasets. Use a more realistic representation of molecular structures compared to descriptors and fingerprints

Solution
A fully automated end-to-end pipeline that prepares the data, standardizes structures, trains and
tests the model. The representation is done with Graph Neural Network

Value
Ability to predict activities and ADMET properties (e.g. logP, solubility,etc) for accelerating drug
discovery and reducing experimental costs