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Rachel Grainger

5PUBLICATIONS
17CO-AUTHORS
Process control and simulationBiomolecular modelling and designStatistical mechanics in chemistryCheminformatics and quantitative structure-activity relationships
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Journal

Publications (5)

Sort by Publication Date:
|Dec 18, 2023
Enabling synthesis in fragment-based drug discovery (FBDD): microscale high-throughput optimisation of the medicinal chemist's toolbox reactions.

Chloe Townley, Davide Branduardi, Gianni Chessari

|May 30, 2023
Accelerated Chemical Reaction Optimization Using Multi-Task Learning.

Connor J Taylor, Kobi C Felton, Daniel Wigh

|Feb 23, 2023
A Brief Introduction to Chemical Reaction Optimization.

Connor J Taylor, Alexander Pomberger, Kobi C Felton

|Oct 20, 2021
C-H functionalisation tolerant to polar groups could transform fragment-based drug discovery (FBDD).

Gianni Chessari, Rachel Grainger, Rhian S Holvey

|Mar 19, 2019
Enabling synthesis in fragment-based drug discovery by reactivity mapping: photoredox-mediated cross-dehydrogenative heteroarylation of cyclic amines.

Rachel Grainger, Tom D Heightman, Steven V Ley

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Frequent Collaborators

4 joint publications

Christopher N Johnson

3 joint publications

Gianni Chessari

2 joint publications

Connor J Taylor

2 joint publications

Alexei A Lapkin

1 joint publications

Tom D Heightman

1 joint publications

Steven V Ley

1 joint publications

Fabio Lima

1 joint publications

Rhian S Holvey

1 joint publications

R Frederick Ludlow

1 joint publications

Paul N Mortenson

Frequent Collaborators

4 joint publications

Christopher N Johnson

3 joint publications

Gianni Chessari

2 joint publications

Connor J Taylor

2 joint publications

Alexei A Lapkin

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