Generative Recurrent Networks for De Novo Drug Design

Molecular de-novo design through deep reinforcement learning

(2017) Marcus Olivecrona et al.   Journal of Cheminformatics

A renaissance of neural networks in drug discovery

(2016) Igor I. Baskin et al.   Expert Opinion on Drug Discovery

Parameter Estimation in Softmax Decision-Making Models With Linear Objective Functions

(2016) Paul Reverdy et al.   IEEE Transactions on Automation Science and Engineering

De Novo Design at the Edge of Chaos

(2016) Petra Schneider et al.   JOURNAL OF MEDICINAL CHEMISTRY

Chemoinformatic Classification Methods and their Applicability Domain

(2016) Miriam Mathea et al.   Molecular Informatics

Twenty years on: the impact of fragments on drug discovery

(2016) Daniel A. Erlanson et al.   NATURE REVIEWS DRUG DISCOVERY

The Next Era: Deep Learning in Pharmaceutical Research

(2016) Sean Ekins   PHARMACEUTICAL RESEARCH

The Chemical Space Project

(2015) Jean-Louis Reymond   ACCOUNTS OF CHEMICAL RESEARCH

Networks that learn the precise timing of event sequences

(2015) Alan Veliz-Cuba et al.   JOURNAL OF COMPUTATIONAL NEUROSCIENCE

Deep Learning in Drug Discovery

(2015) Erik Gawehn et al.   Molecular Informatics

Deep learning

(2015) Yann LeCun et al.   NATURE

Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like Molecules

(2013) Alessandro Lusci et al.   Journal of Chemical Information and Modeling

Principles of early drug discovery

(2010) JP Hughes et al.   BRITISH JOURNAL OF PHARMACOLOGY