Artykuły udostępnione publicznie: - Ola EngkvistWięcej informacji
Niedostępne w żadnym miejscu: 8
Evaluation guidelines for machine learning tools in the chemical sciences
A Bender, N Schneider, M Segler, W Patrick Walters, O Engkvist, ...
Nature Reviews Chemistry 6 (6), 428-442, 2022
Upoważnienia: Fundação para a Ciência e a Tecnologia, Portugal
Artificial intelligence and automation in computer aided synthesis planning
A Thakkar, S Johansson, K Jorner, D Buttar, JL Reymond, O Engkvist
Reaction chemistry & engineering 6 (1), 27-51, 2021
Upoważnienia: Swiss National Science Foundation, Knut and Alice Wallenberg Foundation
AI-assisted synthesis prediction
S Johansson, A Thakkar, T Kogej, E Bjerrum, S Genheden, T Bastys, ...
Drug Discovery Today: Technologies 32, 65-72, 2019
Upoważnienia: Knut and Alice Wallenberg Foundation
Ligand-based target prediction with signature fingerprints
J Alvarsson, M Eklund, O Engkvist, O Spjuth, L Carlsson, JES Wikberg, ...
Journal of chemical information and modeling 54 (10), 2647-2653, 2014
Upoważnienia: Swedish Research Council
Innovation in small-molecule-druggable chemical space: Where are the initial modulators of new targets published?
SK Ashenden, T Kogej, O Engkvist, A Bender
Journal of chemical information and modeling 57 (11), 2741-2753, 2017
Upoważnienia: UK Biotechnology and Biological Sciences Research Council
Bioinformatic approaches in the understanding of mechanism of action (MoA)
MA Trapotsi, I Barrett, O Engkvist, A Bender
Target Discovery and Validation: Methods and Strategies for Drug Discovery …, 2019
Upoważnienia: UK Biotechnology and Biological Sciences Research Council
Molecular de novo design through deep generative models
O Engkvist, J Arús-Pous, EJ Bjerrum, H Chen
Artificial Intelligence in Drug Discovery. The Royal Society of Chemistry …, 2021
Upoważnienia: European Commission
Diverse Data Expansion with Semi-Supervised k-Determinantal Point Processes
S Johansson, O Engkvist, MH Chehreghani, A Schliep
2023 IEEE International Conference on Big Data (BigData), 5260-5265, 2023
Upoważnienia: Knut and Alice Wallenberg Foundation
Dostępne w jakimś miejscu: 89
The rise of deep learning in drug discovery
H Chen, O Engkvist, Y Wang, M Olivecrona, T Blaschke
Drug discovery today 23 (6), 1241-1250, 2018
Upoważnienia: European Commission
Molecular de-novo design through deep reinforcement learning
M Olivecrona, T Blaschke, O Engkvist, H Chen
Journal of cheminformatics 9 (1), 48, 2017
Upoważnienia: European Commission
Molecular representations in AI-driven drug discovery: a review and practical guide
L David, A Thakkar, R Mercado, O Engkvist
Journal of cheminformatics 12 (1), 56, 2020
Upoważnienia: European Commission
Application of Generative Autoencoder in De Novo Molecular Design
T Blaschke, M Olivecrona, O Engkvist, J Bajorath, H Chen
Molecular informatics 37 (1-2), 1700123, 2018
Upoważnienia: European Commission
REINVENT 2.0: an AI tool for de novo drug design
T Blaschke, J Arús-Pous, H Chen, C Margreitter, C Tyrchan, O Engkvist, ...
Journal of chemical information and modeling 60 (12), 5918-5922, 2020
Upoważnienia: European Commission
A de novo molecular generation method using latent vector based generative adversarial network
O Prykhodko, SV Johansson, P Kotsias, J Arús-Pous, EJ Bjerrum, ...
Journal of Cheminformatics 11 (74), 2019
Upoważnienia: European Commission
Randomized SMILES strings improve the quality of molecular generative models
J Arús-Pous, SV Johansson, O Prykhodko, EJ Bjerrum, C Tyrchan, ...
Journal of cheminformatics 11, 1-13, 2019
Upoważnienia: European Commission
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
S Genheden, A Thakkar, V Chadimová, JL Reymond, O Engkvist, ...
Journal of cheminformatics 12 (1), 70, 2020
Upoważnienia: European Commission
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
J Sun, N Jeliazkova, V Chupakhin, JF Golib-Dzib, O Engkvist, L Carlsson, ...
Journal of cheminformatics 9, 1-9, 2017
Upoważnienia: European Commission
On the integration of in silico drug design methods for drug repurposing
E March-Vila, L Pinzi, N Sturm, A Tinivella, O Engkvist, H Chen, G Rastelli
Frontiers in pharmacology 8, 272508, 2017
Upoważnienia: European Commission
Current and future roles of artificial intelligence in medicinal chemistry synthesis
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...
Journal of medicinal chemistry 63 (16), 8667-8682, 2020
Upoważnienia: US Department of Defense
Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks
PC Kotsias, J Arús-Pous, H Chen, O Engkvist, C Tyrchan, EJ Bjerrum
Nature Machine Intelligence 2 (5), 254-265, 2020
Upoważnienia: European Commission
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