Esben Jannik Bjerrum
Scania (Sweden)(SE)Chemi (Italy)(IT)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Chemical Synthesis and Analysis, Analytical Chemistry and Chromatography, Protein Structure and Dynamics
Most-Cited Works
- → A de novo molecular generation method using latent vector based generative adversarial network(2019)412 cited
- → Randomized SMILES strings improve the quality of molecular generative models(2019)387 cited
- → AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning(2020)345 cited
- → SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules(2017)301 cited
- → Chemformer: a pre-trained transformer for computational chemistry(2021)253 cited
- → Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks(2020)253 cited
- → SMILES-based deep generative scaffold decorator for de-novo drug design(2020)206 cited
- → Improving Chemical Autoencoder Latent Space and Molecular De Novo Generation Diversity with Heteroencoders(2018)197 cited
- → Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning(2021)185 cited
- → De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping(2019)167 cited