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

1 citations · 1 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…

cond-mat.stat-mech2012

Dynamical Phases in the Full Counting Statistics of the Resonant-Level Model

Sam Genway, James M. Hickey, Juan P. Garrahan +1

We present a thermodynamic formalism to study the full counting statistics (FCS) of charge transport through a quantum dot coupled to two leads in the resonant-level model. We show…