Digital Science Technologies (United States)

Efficient multi-objective molecular optimization in a continuous latent space

Robin Winter, Floriane Montanari, Andreas Steffen et al. · Chemical Science · 2019 · 260 citations · Full text

Neuraldecipher – reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures

Tuan Le, Robin Winter, Frank Noé et al. · Chemical Science · 2020 · 78 citations · Full text

Ecfp Count Vectors, Engineering, Machine Learning +18

Through tissue imaging of a live breast cancer tumour model using handheld surface enhanced spatially offset resonance Raman spectroscopy (SESORRS)

Fay Nicolson, Lauren E. Jamieson, Samuel Mabbott et al. · Chemical Science · 2018 · 64 citations · Full text

A novel nanozyme assay utilising the catalytic activity of silver nanoparticles and SERRS

Sian Sloan‐Dennison, Stacey Laing, Neil C. Shand et al. · The Analyst · 2017 · 60 citations

Extreme red shifted SERS nanotags

Matthew A. Bedics, Hayleigh Kearns, Jordan M. Cox et al. · Chemical Science · 2015 · 56 citations · Full text