The use of digital systems for medicinal chemistry optimisation"

Lead Research Organisation: University of Glasgow
Department Name: School of Chemistry

Abstract

In this project we will explore the use of automated chemical reactor arrays with control using a variety of modalities to explore core modules important for med chem applications. During the first part of the project the med chem modules will be built and then the code for the modules developed. The student will receive training in organic synthesis, state of the art spectroscopy, programming, feedback control, and the use of artificial intelligence and reaction planning systems to explore target based optimisation as well as complexity-directed synthesis. We will aim to explore three different system types: the explorer - a discovery based system; the optimizer - an AI driven optimisation engine for hard to do reactions; the elaborator - a library driven system for the expansion chemical space.

Publications

10 25 50

Studentship Projects

Project Reference Relationship Related To Start End Student Name
EP/R512266/1 01/10/2017 30/09/2021
2308755 Studentship EP/R512266/1 02/10/2017 01/10/2021 Andruis Bubliauskas