4 citations · 8 across the 2 of their papers we have counts for
2 papers
q-bio.QM2020★ 4 cited
Investigating 3D Atomic Environments for Enhanced QSAR
William McCorkindale, Carl Poelking, Alpha A. Lee
Predicting bioactivity and physical properties of molecules is a longstanding challenge in drug design. Most approaches use molecular descriptors based on a 2D representation of mo…
physics.chem-ph2020★ 4 cited
Data-Driven Discovery of Molecular Photoswitches with Multioutput Gaussian Processes
Ryan-Rhys Griffiths, Jake L. Greenfield, Aditya R. Thawani +7
Photoswitchable molecules display two or more isomeric forms that may be accessed using light. Separating the electronic absorption bands of these isomers is key to selectively add…