Talia B. Kimber

Revealing cytotoxic substructures in molecules using deep learning

Henry Webel, Talia B. Kimber, Silke Radetzki et al. · Journal of Computer-Aided Molecular Design · 2020 · 59 citations · Full text

Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction

Talia B. Kimber, Sebastian Engelke, Igor V. Tetko et al. · arXiv (Cornell University) · 2018 · 41 citations · Full text

Molecular Prediction, Convolutional Neural Network, Engineering +23

Maxsmi: Maximizing molecular property prediction performance with confidence estimation using SMILES augmentation and deep learning

Talia B. Kimber, Maxime Gagnebin, Andrea Volkamer · Artificial Intelligence in the Life Sciences · 2021 · 39 citations · Full text

Engineering, Machine Learning, Autoencoders +17

Chemical representation learning for toxicity prediction

Jannis Born, Greta Markert, Nikita Janakarajan et al. · Digital Discovery · 2023 · 39 citations · Full text

Engineering, Machine Learning, Proprietary Toxicity Dataset +18

TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research

Dominique Sydow, Jaime Rodrı́guez-Guerra, Talia B. Kimber et al. · Nucleic Acids Research · 2022 · 12 citations · Full text

Engineering, Structural Bioinformatics, Molecular Biology +17