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RSC Medicinal Chemistry
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October 14, 2024
Introduction to the themed collection on 'AI in Medicinal Chemistry'
Jian Zhang, Ola Engkvist, Gerhard Hessler
Journal of Molecular Graphics & Modelling
|
January 29, 2013
Investigation of the influence of molecular topology on ligand binding
Rurika Oka, Ola Engkvist, Hongming Chen
ACS Central Science
|
June 5, 2026
A Return to the Logic-First Spirit of Corey's Retrosynthetic Analysis, Now Implemented in Modern Data-Driven CASP
Mikhail Kabeshov, Giulia Bergonzini, Ola Engkvist
Journal of Chemical Information and Modeling
|
November 10, 2021
Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation
Rocío Mercado, Esben J Bjerrum, Ola Engkvist
Journal of Chemical Information and Modeling
|
March 24, 2023
AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models
Samuel Genheden, Per-Ola Norrby, Ola Engkvist
Current Opinion in Structural Biology
|
March 26, 2023
Artificial intelligence in molecular de novo design: Integration with experiment
Jon Paul Janet, Lewis Mervin, Ola Engkvist
Future Medicinal Chemistry
|
December 1, 2018
The convergence of artificial intelligence and chemistry for improved drug discovery
Clive P Green, Ola Engkvist, Garry Pairaudeau
Future Medicinal Chemistry
|
September 16, 2016
Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?
Igor V Tetko, Ola Engkvist, Hongming Chen
Journal of Cheminformatics
|
January 12, 2021
Molecular representations in AI-driven drug discovery: a review and practical guide
Laurianne David, Amol Thakkar, Rocío Mercado, et al.
Journal of Cheminformatics
|
November 1, 2017
Molecular de-novo design through deep reinforcement learning
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, et al.
Page
of 14
Search research articles
Search
Showing results (11-20 of 135) with videos related to
Sort By:
Page
of 14
RSC Medicinal Chemistry
|
October 14, 2024
Introduction to the themed collection on 'AI in Medicinal Chemistry'
Jian Zhang, Ola Engkvist, Gerhard Hessler
Journal of Molecular Graphics & Modelling
|
January 29, 2013
Investigation of the influence of molecular topology on ligand binding
Rurika Oka, Ola Engkvist, Hongming Chen
ACS Central Science
|
June 5, 2026
A Return to the Logic-First Spirit of Corey's Retrosynthetic Analysis, Now Implemented in Modern Data-Driven CASP
Mikhail Kabeshov, Giulia Bergonzini, Ola Engkvist
Journal of Chemical Information and Modeling
|
November 10, 2021
Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation
Rocío Mercado, Esben J Bjerrum, Ola Engkvist
Journal of Chemical Information and Modeling
|
March 24, 2023
AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models
Samuel Genheden, Per-Ola Norrby, Ola Engkvist
Current Opinion in Structural Biology
|
March 26, 2023
Artificial intelligence in molecular de novo design: Integration with experiment
Jon Paul Janet, Lewis Mervin, Ola Engkvist
Future Medicinal Chemistry
|
December 1, 2018
The convergence of artificial intelligence and chemistry for improved drug discovery
Clive P Green, Ola Engkvist, Garry Pairaudeau
Future Medicinal Chemistry
|
September 16, 2016
Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?
Igor V Tetko, Ola Engkvist, Hongming Chen
Journal of Cheminformatics
|
January 12, 2021
Molecular representations in AI-driven drug discovery: a review and practical guide
Laurianne David, Amol Thakkar, Rocío Mercado, et al.
Journal of Cheminformatics
|
November 1, 2017
Molecular de-novo design through deep reinforcement learning
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, et al.
Page
of 14