138 citations · 295 across the 7 of their papers we have counts for
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physics.data-an2019★ 3 cited
Fragment Graphical Variational AutoEncoding for Screening Molecules with Small Data
John Armitage, Leszek J. Spalek, Malgorzata Nguyen +11
In the majority of molecular optimization tasks, predictive machine learning (ML) models are limited due to the unavailability and cost of generating big experimental datasets on t…
cond-mat.mtrl-sci2019★ 20 cited
Mapping Microstructural Dynamics up to the Nanosecond of the Conjugated Polymer P3HT in the Solid State
Anne A. Y. Guilbert", Mohamed Zbiri", Peter A. Finn +6
We present a detailed study of the structure-dynamics relationship of regio-regular and regio-random PEHT using different neutron scattering techniques. Deuteration is employed to…