most citedData-driven reactivity prediction of targeted covalent inhibitors using computed quantum features for drug discovery

1 citations · 2 across the 2 of their papers we have counts for

collaborators

2 papers

quant-ph2023★ 1 cited

Data-driven reactivity prediction of targeted covalent inhibitors using computed quantum features for drug discovery

Tom W. A. Montgomery, Peter Pogány, Alice Purdy +6

We present an approach to combine novel molecular features with experimental data within a data-driven pipeline. The method is applied to the challenge of predicting the reactivity…

quant-ph2022★ 1 cited

Predict better with less training data using a QNN

Barry D. Reese, Marek Kowalik, Christian Metzl +2

Over the past decade, machine learning revolutionized vision-based quality assessment for which convolutional neural networks (CNNs) have now become the standard. In this paper, we…