Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations R Winter, F Montanari, F Noé, DA Clevert Chemical science 10 (6), 1692-1701, 2019 | 236 | 2019 |
Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space R Winter, F Montanari, A Steffen, H Briem, F Noé, DA Clevert Chemical Science, 2019 | 135 | 2019 |
Neuraldecipher–reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures T Le, R Winter, F Noé, DA Clevert Chemical science 11 (38), 10378-10389, 2020 | 15 | 2020 |
Img2Mol–accurate SMILES recognition from molecular graphical depictions DA Clevert, T Le, R Winter, F Montanari Chemical science 12 (42), 14174-14181, 2021 | 14 | 2021 |
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations. Chem Sci 10: 1692–1701 R Winter, F Montanari, F Noé, DA Clevert | 10 | 2019 |
Deep protein-ligand binding prediction using unsupervised learned representations P Kim, R Winter, DA Clevert | 7 | 2020 |
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations. Chem Sci 10 (6): 1692–1701 R Winter, F Montanari, F Noé, DA Clevert doi. org/10.1039/C8SC0 4175, 2019 | 7 | 2019 |
grünifai: interactive multiparameter optimization of molecules in a continuous vector space R Winter, J Retel, F Noé, DA Clevert, A Steffen Bioinformatics 36 (13), 4093-4094, 2020 | 4 | 2020 |
Permutation-invariant variational autoencoder for graph-level representation learning R Winter, F Noé, DA Clevert Advances in Neural Information Processing Systems 34, 9559-9573, 2021 | 2 | 2021 |
Unsupervised Representation Learning for Proteochemometric Modeling PT Kim, R Winter, DA Clevert International Journal of Molecular Sciences 22 (23), 12882, 2021 | 2 | 2021 |
Auto-encoding molecular conformations R Winter, F Noé, DA Clevert arXiv preprint arXiv:2101.01618, 2021 | 2 | 2021 |
Deep learning for de novo drug design R Winter, F Montanari, DA Clevert Ultraschall in der Medizin-European Journal of Ultrasound 40 (S 01), WS17-1, 2019 | 1 | 2019 |
Unsupervised Learning of Group Invariant and Equivariant Representations R Winter, M Bertolini, T Le, F Noé, DA Clevert arXiv preprint arXiv:2202.07559, 2022 | | 2022 |
Neuraldecipher-Reverse-Engineering ECFP Fingerprints to Their Molecular Structures R Winter, F Noé, D Clevert | | 2020 |
DeepPCM: Predicting Protein-Ligand Binding using Unsupervised Learned Representations P Kim, R Winter, DA Clevert | | 2019 |
IVE-GAN: Invariant Encoding Generative Adversarial Networks R Winter, DA Clevert arXiv preprint arXiv:1711.08646, 2017 | | 2017 |
Unsupervised Learning of Group Invariant and Equivariant Representations Download PDF M Bertolini, R Winter, T Le, F Noe, DA Clevert | | |
Supplementary Information for Neuraldecipher-Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures T Le, R Winter, F Noé, DA Clevert | | |
Supporting Information for Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations R Winter, F Montanari, F Noé, DA Clevert, FN Network | | |