DataMart AI Services

Structural Bioinformatics

Exploring drug-protein interactions, performing molecular dynamics and docking.

We offer strong expertise with various softwareand databases (MOE, Gromacs, PYmol, PDB,..)

Toxicology

Preclinical safety is one of the top reasons behind drug failures. Explore our expertise in extracting adverse events from your toxicology reports using NLP techniques and bringing your data together to address complex toxicity end points

PBPK modelling

Prediction of pharmacokinetic parameters and time concentration profiles is an essential step in early discovery. We offer PBPK modelling services using commercial softwares and custom-built machine learning models

Data analytics and databases

Data retrieval and cleaning is the most tedious step prior to any model development. Let us explore, analyze your data & provide you with a comprehensive report. You feel you are stuck with your data and not able to retrieve information easily? Let us make your data make sense ! We can explore together via different languages (R/Python/Pyspark/SQL) and within different setups (Oracle, Google big query,..)

Want to automate your analysis? Create Dashboards? We work with Pipelinepilot, Spotfire, R Shiny, Dash, PowerBI, Tableau and many other tailored solutions!

Machine learning

What do you want to predict and what is the type and the size of your data?

After exploring your data, we can choose simple baseline models (Regression,decision trees,.), opt for more sophisticated (Deep learning, RF,..) or explore AutoML solutions. If your data is small or unlabelled, we can explore Transfer learning techniques.From simple data wrangling to time forcasts and full business analytics, we support you all the way!

Cheminformatics and CAAD

Chemistry is our passion !

Using various molecular representations (Graph-based or fingerprints) and physchem properties to predict efficacy and safety of small molecules is something we would love to support with! 

Flexibility with using R/python-based packages (rcdk,RDkit,) or UIs (Knime,MOE,Discovery studio,..)