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Robin Winter
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Year
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
3772019
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
2042019
Img2Mol–accurate SMILES recognition from molecular graphical depictions
DA Clevert, T Le, R Winter, F Montanari
Chemical science 12 (42), 14174-14181, 2021
422021
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
322020
Unsupervised Learning of Group Invariant and Equivariant Representations
R Winter, M Bertolini, T Le, F No, DA Clevert
Advances in Neural Information Processing Systems 35, 31942--31956, 2022
182022
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
122021
Deep protein-ligand binding prediction using unsupervised learned representations
P Kim, R Winter, DA Clevert
112020
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
82020
Unsupervised representation learning for proteochemometric modeling
PT Kim, R Winter, DA Clevert
International Journal of Molecular Sciences 22 (23), 12882, 2021
72021
Auto-encoding molecular conformations
R Winter, F No, DA Clevert
arXiv preprint arXiv:2101.01618, 2021
72021
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
A community effort in SARS‐CoV‐2 drug discovery
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F No, S Olsson, L Raich, ...
Molecular Informatics, 2023
2023
A community effort to discover small molecule SARS-CoV-2 inhibitors
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F No, S Olsson, L Raich, ...
American Chemical Society (ACS), 2023
2023
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
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Articles 1–15