Ola Engkvist

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88 artikel

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Hongming ChenAstrazeneca, Bioland Laboratory, Guangzhou LaboratoryEmail yang diverifikasi di grmh-gdl.cn
Christian TyrchanSenior Director Computational Chemistry, BioPharmaceuticals R&D, Early R&I, AstraZenecaEmail yang diverifikasi di astrazeneca.com
Thierry KogejAssociate Principal Scientist, AstraZenecaEmail yang diverifikasi di astrazeneca.com
Lewis MervinAstraZenecaEmail yang diverifikasi di astrazeneca.com
Jean-Louis ReymondUniversity of BernEmail yang diverifikasi di unibe.ch
Thomas BlaschkeOdyssey TherapeuticsEmail yang diverifikasi di uni-bonn.de
Josep Arús-PousEvinova (AstraZeneca)Email yang diverifikasi di evinova.com
Simon Viet JohanssonIndustrial Ph.D student, AstraZeneca AB & Chalmers University of TechnologyEmail yang diverifikasi di student.chalmers.se
Andreas BenderUniversity of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai; UMF ClujEmail yang diverifikasi di cam.ac.uk
Jon Paul JanetAstraZeneca R&DEmail yang diverifikasi di astrazeneca.com
Samuel GenhedenR&D AstraZeneca, GothenburgEmail yang diverifikasi di astrazeneca.com
Ian BarrettSenior Director, AstraZenecaEmail yang diverifikasi di astrazeneca.com
Lars CarlssonRTHS and CRML, University of London, Jönköping UniversityEmail yang diverifikasi di rhul.ac.uk
Jürgen BajorathProfessor of Life Science Informatics, University of BonnEmail yang diverifikasi di bit.uni-bonn.de
Jiazhen HeAstraZenecaEmail yang diverifikasi di astrazeneca.com
Igor V. TetkoBIGCHEM GmbH & Helmholtz MunichEmail yang diverifikasi di helmholtz-munich.de
Laurianne DavidEvotec, FranceEmail yang diverifikasi di evotec.com
Niklas BlombergDirector, ELIXIREmail yang diverifikasi di ebi.ac.uk
Eva NittingerComputational Chemistry, BioPharmaceuticals R&D, Early R&I, AstraZenecaEmail yang diverifikasi di astrazeneca.com
Avid M. AfzalAstraZenecaEmail yang diverifikasi di astrazeneca.com

Ikuti

Ola Engkvist

AstraZeneca R&D Gothenburg Orcid:0000-0003-4970-6461

Email yang diverifikasi di astrazeneca.com - Beranda

Cheminformatics Drug Discovery Machine Learning Semantic Web Technologies Open Innovation


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
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	1828	2018
Molecular de-novo design through deep reinforcement learning M Olivecrona, T Blaschke, O Engkvist, H Chen Journal of cheminformatics 9 (1), 48, 2017	1286	2017
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	522	2020
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	473	2018
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	379	2019
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	376	2020
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	327	2019
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	299	2020
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	231	2017
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	229	2017
Graph networks for molecular design R Mercado, T Rastemo, E Lindelöf, G Klambauer, O Engkvist, H Chen, ... Machine Learning: Science and Technology 2 (2), 025023, 2021	216	2021
Accurate intermolecular potentials obtained from molecular wave functions: Bridging the gap between quantum chemistry and molecular simulations O Engkvist, PO Åstrand, G Karlström Chemical Reviews 100 (11), 4087-4108, 2000	213	2000
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	211	2020
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	204	2020
Computational prediction of chemical reactions: current status and outlook O Engkvist, PO Norrby, N Selmi, Y Lam, Z Peng, EC Sherer, W Amberg, ... Drug discovery today 23 (6), 1203-1218, 2018	199	2018
Exploring the GDB-13 chemical space using deep generative models J Arús-Pous, T Blaschke, S Ulander, JL Reymond, H Chen, O Engkvist Journal of cheminformatics 11 (1), 20, 2019	190	2019
SMILES-based deep generative scaffold decorator for de-novo drug design J Arús-Pous, A Patronov, EJ Bjerrum, C Tyrchan, JL Reymond, H Chen, ... Journal of cheminformatics 12, 1-18, 2020	177	2020
Characterization of a conserved structural determinant controlling protein kinase sensitivity to selective inhibitors S Blencke, B Zech, O Engkvist, Z Greff, L Őrfi, Z Horváth, G Kéri, A Ullrich, ... Chemistry & biology 11 (5), 691-701, 2004	176	2004
Structure and vibrational dynamics of the benzene dimer V Špirko, O Engkvist, P Soldán, HL Selzle, EW Schlag, P Hobza The Journal of chemical physics 111 (2), 572-582, 1999	175	1999
Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction M Withnall, E Lindelöf, O Engkvist, H Chen Journal of Cheminformatics 12 (1), 1, 2020	171	2020

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