2 papers
cs.LG2019
Analyzing Learned Molecular Representations for Property Prediction
Kevin Yang, Kyle Swanson, Wengong Jin +12
Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising res…
cs.LG2018
Chemi-net: a graph convolutional network for accurate drug property prediction
Ke Liu, Xiangyan Sun, Lei Jia +7
Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions,…