Federated learning for molecular discovery

From distributed machine learning to federated learning: a survey

(2022) Ji Liu et al.   KNOWLEDGE AND INFORMATION SYSTEMS

A comprehensive review of federated learning for COVID‐19 detection

(2021) Sadaf Naz et al.   INTERNATIONAL JOURNAL OF INTELLIGENT SYSTEMS

FL-QSAR: a federated learning-based QSAR prototype for collaborative drug discovery

(2020) Shaoqi Chen et al.   BIOINFORMATICS

Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet

(2020) Andreas Bender et al.   DRUG DISCOVERY TODAY

Generative Adversarial Networks: An Overview

(2018) Antonia Creswell et al.   IEEE SIGNAL PROCESSING MAGAZINE

The Catch-22 of Predicting hERG Blockade Using Publicly Accessible Bioactivity Data

(2018) Vishal B. Siramshetty et al.   Journal of Chemical Information and Modeling

MoleculeNet: a benchmark for molecular machine learning

(2018) Zhenqin Wu et al.   Chemical Science

Molecular graph convolutions: moving beyond fingerprints

(2016) Steven Kearnes et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data

(2011) Thibault Varin et al.   Journal of Chemical Information and Modeling

Locality sensitive hashing: A comparison of hash function types and querying mechanisms

(2010) Loïc Paulevé et al.   PATTERN RECOGNITION LETTERS