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.
Function
R And D
Core Research And Development
Benefits
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
Industry
Healthcare
Pharmaceuticals And Biotech
Data Sets
Images,Structured / Semi-structured
AI Technologies
Machine Learning (ML),ML Task - Grouping - Clustering