KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images

22 November 2018

Papers citing "KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images"

11 / 11 papers shown

Title
Unraveling Key Elements Underlying Molecular Property Prediction: A Systematic Study Jianyuan Deng Zhibo Yang Hehe Wang Iwao Ojima Dimitris Samaras Fusheng Wang 17 1 0 26 Sep 2022
Graph Neural Networks for Molecules Yuyang Wang Zijie Li A. Farimani GNN AI4CE 45 20 0 12 Sep 2022
HiGNN: Hierarchical Informative Graph Neural Networks for Molecular Property Prediction Equipped with Feature-Wise Attention Weimin Zhu Yi Zhang Duancheng Zhao Jianrong Xu Ling Wang 27 0 0 30 Aug 2022
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 21 100 0 09 Jun 2021
Learning Curves for Drug Response Prediction in Cancer Cell Lines A. Partin Thomas Brettin Yvonne A. Evrard Yitan Zhu H. Yoo ... Austin R. Clyde Maulik Shukla Michael Fonstein J. Doroshow Rick L. Stevens 10 19 0 25 Nov 2020
A Systematic Approach to Featurization for Cancer Drug Sensitivity Predictions with Deep Learning Austin R. Clyde Thomas Brettin A. Partin Maulik Shaulik H. Yoo Yvonne A. Evrard Yitan Zhu Fangfang Xia Rick L. Stevens 17 7 0 30 Apr 2020
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts Mostafa Karimi Di Wu Zhangyang Wang Yang Shen 27 46 0 29 Dec 2019
Concepts and Applications of Conformal Prediction in Computational Drug Discovery I. Cortés-Ciriano A. Bender 24 42 0 09 Aug 2019
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout I. Cortés-Ciriano A. Bender OOD 28 47 0 12 Apr 2019
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 175 1,778 0 02 Mar 2017
Classifying and Segmenting Microscopy Images Using Convolutional Multiple Instance Learning Oren Z. Kraus Lei Jimmy Ba B. Frey 161 392 0 17 Nov 2015