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Robin Winter
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Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations
R Winter, F Montanari, F No, DA Clevert
Chemical science 10 (6), 1692-1701, 2019
2362019
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
1352019
Neuraldecipher–reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures
T Le, R Winter, F No, DA Clevert
Chemical science 11 (38), 10378-10389, 2020
152020
Img2Mol–accurate SMILES recognition from molecular graphical depictions
DA Clevert, T Le, R Winter, F Montanari
Chemical science 12 (42), 14174-14181, 2021
142021
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations. Chem Sci 10: 1692–1701
R Winter, F Montanari, F No, DA Clevert
102019
Deep protein-ligand binding prediction using unsupervised learned representations
P Kim, R Winter, DA Clevert
72020
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations. Chem Sci 10 (6): 1692–1701
R Winter, F Montanari, F No, DA Clevert
doi. org/10.1039/C8SC0 4175, 2019
72019
grnifai: interactive multiparameter optimization of molecules in a continuous vector space
R Winter, J Retel, F No, DA Clevert, A Steffen
Bioinformatics 36 (13), 4093-4094, 2020
42020
Permutation-invariant variational autoencoder for graph-level representation learning
R Winter, F No, DA Clevert
Advances in Neural Information Processing Systems 34, 9559-9573, 2021
22021
Unsupervised Representation Learning for Proteochemometric Modeling
PT Kim, R Winter, DA Clevert
International Journal of Molecular Sciences 22 (23), 12882, 2021
22021
Auto-encoding molecular conformations
R Winter, F No, DA Clevert
arXiv preprint arXiv:2101.01618, 2021
22021
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
12019
Unsupervised Learning of Group Invariant and Equivariant Representations
R Winter, M Bertolini, T Le, F No, 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 No, DA Clevert
Supporting Information for Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations
R Winter, F Montanari, F No, DA Clevert, FN Network
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