D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Computer Science D-index 32 Citations 4,943 128 World Ranking 9236 National Ranking 547

Overview

What is he best known for?

The fields of study he is best known for:

  • Artificial intelligence
  • Machine learning
  • Biochemistry

His main research concerns Data science, Biochemistry, Molecular physics, Drug discovery and Data mining. His work in Data science addresses issues such as Chemogenomics, which are connected to fields such as Drug. His Drug discovery study frequently links to related topics such as Artificial neural network.

His Artificial neural network study is concerned with Artificial intelligence in general. His biological study spans a wide range of topics, including Machine learning and Datasets as Topic. His research integrates issues of PubChem and chEMBL in his study of Data mining.

His most cited work include:

  • The rise of deep learning in drug discovery. (456 citations)
  • Molecular de-novo design through deep reinforcement learning (288 citations)
  • Accurate Intermolecular Potentials Obtained from Molecular Wave Functions: Bridging the Gap between Quantum Chemistry and Molecular Simulations (142 citations)

What are the main themes of his work throughout his whole career to date?

Ola Engkvist mainly focuses on Artificial intelligence, Drug discovery, Computational biology, Data mining and Deep learning. His Artificial intelligence research is multidisciplinary, incorporating elements of Machine learning and Pattern recognition. His Drug discovery study combines topics from a wide range of disciplines, such as Combinatorial chemistry, Nanotechnology, Pharmaceutical industry and Data science.

His work focuses on many connections between Data science and other disciplines, such as Big data, that overlap with his field of interest in Cheminformatics. His Data mining research includes elements of Pharmacophore, Similarity, Selection and chEMBL. His Recurrent neural network research incorporates elements of Chemical space, Generative model and Reinforcement learning.

He most often published in these fields:

  • Artificial intelligence (24.00%)
  • Drug discovery (22.67%)
  • Computational biology (12.67%)

What were the highlights of his more recent work (between 2018-2021)?

  • Artificial intelligence (24.00%)
  • Deep learning (11.33%)
  • Machine learning (10.67%)

In recent papers he was focusing on the following fields of study:

His primary areas of study are Artificial intelligence, Deep learning, Machine learning, Drug discovery and Recurrent neural network. His work in the fields of Generative grammar and Artificial neural network overlaps with other areas such as Set, CASP and Field. Ola Engkvist has researched Deep learning in several fields, including Theoretical computer science, Cheminformatics, Molecular descriptor, chEMBL and Hyperparameter.

His Cheminformatics research is multidisciplinary, relying on both Pharmaceutical industry, Data science and Big data. His study in Management science extends to Drug discovery with its themes. Ola Engkvist focuses mostly in the field of Recurrent neural network, narrowing it down to matters related to Chemical space and, in some cases, Reinforcement learning, Chemical database and Generative model.

Between 2018 and 2021, his most popular works were:

  • Randomized SMILES strings improve the quality of molecular generative models (44 citations)
  • Exploring the GDB-13 chemical space using deep generative models (41 citations)
  • A de novo molecular generation method using latent vector based generative adversarial network (37 citations)

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

The rise of deep learning in drug discovery.

Hongming Chen;Ola Engkvist;Yinhai Wang;Marcus Olivecrona.
Drug Discovery Today (2018)

974 Citations

Molecular de-novo design through deep reinforcement learning

Marcus Olivecrona;Thomas Blaschke;Ola Engkvist;Hongming Chen.
Journal of Cheminformatics (2017)

617 Citations

Application of Generative Autoencoder in De Novo Molecular Design.

Thomas Blaschke;Marcus Olivecrona;Ola Engkvist;Jürgen Bajorath.
Molecular Informatics (2018)

266 Citations

Randomized SMILES strings improve the quality of molecular generative models

Josep Arús-Pous;Josep Arús-Pous;Simon Viet Johansson;Oleksii Prykhodko;Esben Jannik Bjerrum.
Journal of Cheminformatics (2019)

128 Citations

Computational prediction of chemical reactions: current status and outlook.

Ola Engkvist;Per-Ola Norrby;Nidhal Selmi;Yu-hong Lam.
Drug Discovery Today (2018)

128 Citations

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

Jiangming Sun;Nina Jeliazkova;Vladimir Chupakhin;Jose-Felipe Golib-Dzib.
Journal of Cheminformatics (2017)

125 Citations

On the integration of in silico drug design methods for drug repurposing

Eric March-Vila;Luca Pinzi;Noé Sturm;Annachiara Tinivella.
Frontiers in Pharmacology (2017)

123 Citations

A de novo molecular generation method using latent vector based generative adversarial network

Oleksii Prykhodko;Oleksii Prykhodko;Simon Viet Johansson;Simon Viet Johansson;Panagiotis-Christos Kotsias;Josep Arús-Pous;Josep Arús-Pous.
Journal of Cheminformatics (2019)

121 Citations

Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening.

Chris de Graaf;Nicolas Foata;Ola Engkvist;Didier Rognan.
Proteins (2008)

116 Citations

Molecular representations in AI-driven drug discovery: a review and practical guide

Laurianne David;Amol Thakkar;Amol Thakkar;Rocío Mercado;Ola Engkvist.
Journal of Cheminformatics (2020)

111 Citations

If you think any of the details on this page are incorrect, let us know.

Contact us

Best Scientists Citing Ola Engkvist

Pavel Hobza

Pavel Hobza

Czech Academy of Sciences

Publications: 41

Andreas Bender

Andreas Bender

University of Cambridge

Publications: 38

Chris de Graaf

Chris de Graaf

Vrije Universiteit Amsterdam

Publications: 32

Gisbert Schneider

Gisbert Schneider

ETH Zurich

Publications: 28

José L. Medina-Franco

José L. Medina-Franco

National Autonomous University of Mexico

Publications: 22

Alán Aspuru-Guzik

Alán Aspuru-Guzik

University of Toronto

Publications: 22

Douglas B. Kell

Douglas B. Kell

University of Liverpool

Publications: 21

Igor V. Tetko

Igor V. Tetko

Helmholtz Zentrum München

Publications: 19

Iwan J. P. de Esch

Iwan J. P. de Esch

Vrije Universiteit Amsterdam

Publications: 18

Gunnar Karlström

Gunnar Karlström

Lund University

Publications: 18

Dong-Sheng Cao

Dong-Sheng Cao

Central South University

Publications: 17

Tingjun Hou

Tingjun Hou

Zhejiang University

Publications: 15

Klavs F. Jensen

Klavs F. Jensen

MIT

Publications: 15

Sean Ekins

Sean Ekins

University of Arizona

Publications: 15

Jean-Louis Reymond

Jean-Louis Reymond

University of Bern

Publications: 14

Jiří Šponer

Jiří Šponer

Masaryk University

Publications: 14

Something went wrong. Please try again later.