| Deep learning in virtual screening: recent applications and developments TB Kimber, Y Chen, A Volkamer International journal of molecular sciences 22 (9), 4435, 2021 | 163 | 2021 |
| Synergy effect between convolutional neural networks and the multiplicity of SMILES for improvement of molecular prediction TB Kimber, S Engelke, IV Tetko, E Bruno, G Godin arXiv preprint arXiv:1812.04439, 2018 | 51 | 2018 |
| Revealing cytotoxic substructures in molecules using deep learning HE Webel, TB Kimber, S Radetzki, M Neuenschwander, M Nazaré, ... Journal of computer-aided molecular design 34 (7), 731-746, 2020 | 50 | 2020 |
| Augmentation is what you need! IV Tetko, P Karpov, E Bruno, TB Kimber, G Godin International Conference on Artificial Neural Networks, 831-835, 2019 | 48 | 2019 |
| Maxsmi: maximizing molecular property prediction performance with confidence estimation using smiles augmentation and deep learning TB Kimber, M Gagnebin, A Volkamer Artificial Intelligence in the Life Sciences 1, 100014, 2021 | 32 | 2021 |
| Chemical representation learning for toxicity prediction J Born, G Markert, N Janakarajan, TB Kimber, A Volkamer, MR Martínez, ... Digital Discovery 2 (3), 674-691, 2023 | 19 | 2023 |
| TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research D Sydow, J Rodríguez-Guerra, TB Kimber, D Schaller, CJ Taylor, Y Chen, ... Nucleic Acids Research 50 (W1), W753-W760, 2022 | 14 | 2022 |
| Augmentation Is What You Need!. Artificial Neural Networks and Machine Learning–ICANN 2019: Workshop and Special Sessions, 831–35 IV Tetko, P Karpov, E Eric Bruno, TB Kimber, G Godin Springer International Publishing, 2019 | 9 | 2019 |
| Kinase Similarity Assessment Pipeline for Off-Target Prediction [v1. 0] TB Kimber, D Sydow, A Volkamer Living Journal of Computational Molecular Science 3 (1), 1599-1599, 2022 | 1* | 2022 |
| Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance RLR de Castro, J Rodríguez-Guerra, D Schaller, TB Kimber, C Taylor, ... bioRxiv, 2024 | | 2024 |
| Machine Learning for Kinase Drug Discovery TB Kimber | | 2023 |
| Augmentation Is What You Need! TB Kimber, G Godin | | 2019 |