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AI Use Case

Identify and validate a molecule to target with a drug compound

During the initial phase of drug research and development, the target for a new drug treatment must first be chosen. The target molecule will be what the drug compound interacts with to get the intended outcome, often the treatment of a disease.


R And D

Core Research And Development


Cost - Targeted Trials/ Precision testing,Cost - Reduce wastage

Case Studies

BERG~BERG is attempting to identify genetic predisposition to certain conditions using machine learning with promising Phase I study results,BERG~BERG is developing targeted cancer drugs using machine learning with promising Phase I study results,GlaxoSmithKline~GlaxoSmithKline (GSK) plans to reduce drug discovery to trial time from six years to 12 months using machine learning models to predict molecular behaviour,Ecole Polytechnique Fédérale de Lausanne (EPFL)~Researchers at EPFL predict chemical shifts of molecular solids and their polymorphs to within DFT accuracy with machine learning,University of Lisbon~Researchers at University of Lisbon accelerate drug discovery with the use of machine learning

Potential Vendors



Pharmaceuticals And Biotech

Data Sets

Images,Structured / Semi-structured

AI Technologies

Machine Learning (ML),ML Task - Grouping - Clustering

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