Unsupervised Representation Learning for Proteochemometric Modeling

por Kim, Paul T., Winter, Robin, Clevert, Djork-Arné
Publicado 2021

Rectified factor networks for biclustering of omics data

por Clevert, Djork-Arné, Unterthiner, Thomas, Povysil, Gundula, Hochreiter, Sepp
Publicado 2017

Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations

por Winter, Robin, Montanari, Floriane, Noé, Frank, Clevert, Djork-Arné
Publicado 2018

PAVOOC: designing CRISPR sgRNAs using 3D protein structures and functional domain annotations

por Schaefer, Moritz, Clevert, Djork-Arné, Weiss, Bertram, Steffen, Andreas
Publicado 2019

Neuraldecipher – reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures

por Le, Tuan, Winter, Robin, Noé, Frank, Clevert, Djork-Arné
Publicado 2020

Img2Mol – accurate SMILES recognition from molecular graphical depictions

por Clevert, Djork-Arné, Le, Tuan, Winter, Robin, Montanari, Floriane
Publicado 2021

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

por Montanari, Floriane, Kuhnke, Lara, Ter Laak, Antonius, Clevert, Djork-Arné
Publicado 2019

De novo generation of hit-like molecules from gene expression signatures using artificial intelligence

por Méndez-Lucio, Oscar, Baillif, Benoit, Clevert, Djork-Arné, Rouquié, David, Wichard, Joerg
Publicado 2020

Reagent prediction with a molecular transformer improves reaction data quality

por Andronov, Mikhail, Voinarovska, Varvara, Andronova, Natalia, Wand, Michael, Clevert, Djork-Arné, Schmidhuber, Jürgen
Publicado 2023

Equivariant Graph Neural Networks for Toxicity Prediction

por Cremer, Julian, Medrano Sandonas, Leonardo, Tkatchenko, Alexandre, Clevert, Djork-Arné, De Fabritiis, Gianni
Publicado 2023

Efficient multi-objective molecular optimization in a continuous latent space

por Winter, Robin, Montanari, Floriane, Steffen, Andreas, Briem, Hans, Noé, Frank, Clevert, Djork-Arné
Publicado 2019

cn.MOPS: mixture of Poissons for discovering copy number variations in next-generation sequencing data with a low false discovery rate

por Klambauer, Günter, Schwarzbauer, Karin, Mayr, Andreas, Clevert, Djork-Arné, Mitterecker, Andreas, Bodenhofer, Ulrich, Hochreiter, Sepp
Publicado 2012

A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pK(a) Predictions in Proteins

por Reis, Pedro B.P.S., Bertolini, Marco, Montanari, Floriane, Rocchia, Walter, Machuqueiro, Miguel, Clevert, Djork-Arné
Publicado 2022

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL

por Mayr, Andreas, Klambauer, Günter, Unterthiner, Thomas, Steijaert, Marvin, Wegner, Jörg K., Ceulemans, Hugo, Clevert, Djork-Arné, Hochreiter, Sepp
Publicado 2018

cn.FARMS: a latent variable model to detect copy number variations in microarray data with a low false discovery rate

por Clevert, Djork-Arné, Mitterecker, Andreas, Mayr, Andreas, Klambauer, Günter, Tuefferd, Marianne, Bondt, An De, Talloen, Willem, Göhlmann, Hinrich, Hochreiter, Sepp
Publicado 2011

FABIA: factor analysis for bicluster acquisition

por Hochreiter, Sepp, Bodenhofer, Ulrich, Heusel, Martin, Mayr, Andreas, Mitterecker, Andreas, Kasim, Adetayo, Khamiakova, Tatsiana, Van Sanden, Suzy, Lin, Dan, Talloen, Willem, Bijnens, Luc, Göhlmann, Hinrich W. H., Shkedy, Ziv, Clevert, Djork-Arné
Publicado 2010