Publications

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Current methods and challenges for deep learning in drug discovery

Stefan Schroedl

https://doi.org/10.1016/j.ddtec.2020.07.003

August 17, 2020


ScienceDirect


Small molecules block the interaction between porcine reproductive and respiratory syndrome virus and CD163 receptor and the infection of pig cells

Chang Huang, Denzil Bernard, Jiaqi Zhu, Radha Charan Dash, Alexander Chu, Alec Knupp, Anna Hakey, M. Kyle Hadden, Antonio Garmendia, Young Tang

https://doi.org/10.1186/s12985-020-01361-7

July 30, 2020


Virology Journal


Machine Learning-based Virtual Screening and Its Applications to Alzheimer’s Drug Discovery: A Review

Kristy A. Carpenter and Xudong Huang

https://www.eurekaselect.com/162890/article

June 1, 2018


National Library of Medicine


Most Ligand-Based Benchmarks Measure Overfitting Rather than Accuracy

Izhar Wallach, Abraham Heifets

https://arxiv.org/pdf/1706.06619.pdf

May 9, 2018


Arxiv


Atomnet: A deep convolutional neural network for bioactivity prediction in structure-based drug discovery

Izhar Wallach, Michael Dzamba, Abraham Heifets

https://arxiv.org/pdf/1510.02855.pdf

October 10, 2015


Arxiv