Jonas Boström

Publication Activity (10 Years)

Years Active: 1998-2022
Publications (10 Years): 7

Top Topics

Chemical Reaction

Convolutional Neural Networks

Reinforcement Learning

Top Venues

J. Chem. Inf. Model.

Nat. Mach. Intell.

J. Comput. Chem.

Publications

Giovanni Bolcato, Esther Heid, Jonas Boström
On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative Methods. J. Chem. Inf. Model. 62 (6) (2022)
Jonas Boström
Transformers for future medicinal chemists. Nat. Mach. Intell. 3 (2) (2021)
Jon Paul Janet, Anna Tomberg, Jonas Boström
Reusability report: Learning the language of synthetic methods used in medicinal chemistry. Nat. Mach. Intell. 3 (7) (2021)
Niclas Ståhl, Göran Falkman, Alexander Karlsson, Gunnar Mathiason, Jonas Boström
Deep Convolutional Neural Networks for the Prediction of Molecular Properties: Challenges and Opportunities Connected to the Data. J. Integr. Bioinform. 16 (1) (2019)
Niclas Ståhl, Göran Falkman, Alexander Karlsson, Gunnar Mathiason, Jonas Boström
Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design. J. Chem. Inf. Model. 59 (7) (2019)
Niclas Ståhl, Göran Falkman, Alexander Karlsson, Gunnar Mathiason, Jonas Boström
Improving the Use of Deep Convolutional Neural Networks for the Prediction of Molecular Properties. PACBB (2018)
Thomas C. Schmidt, Per-Olof Eriksson, David Gustafsson, David Cosgrove, Bente Frølund, Jonas Boström
Discovery and Evaluation of Anti-Fibrinolytic Plasmin Inhibitors Derived from 5-(4-Piperidyl)isoxazol-3-ol (4-PIOL). J. Chem. Inf. Model. 57 (7) (2017)
Magnus Norrby, Christoph Grebner, Joakim Eriksson, Jonas Boström
Molecular Rift: Virtual Reality for Drug Designers. J. Chem. Inf. Model. 55 (11) (2015)
Noel M. O'Boyle, Roger A. Sayle, Jonas Boström
What compound should I make next? Using Matched Molecular Series for prospective medicinal chemistry. J. Cheminformatics 6 (S-1) (2014)
Victor Vysotskiy, Jonas Boström, Valera Veryazov
A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package. J. Comput. Chem. 34 (30) (2013)
Christian Tyrchan, Jonas Boström, Fabrizio Giordanetto, Jon Winter, Sorel Muresan
Exploiting Structural Information in Patent Specifications for Key Compound Prediction. J. Chem. Inf. Model. 52 (6) (2012)
Asbjørn Holt, Jonas Boström, Gunnar Karlström, Roland Lindh
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability. J. Comput. Chem. 31 (8) (2010)
Jens Sadowski, Jonas Boström
MIMUMBA Revisited: Torsion Angle Rules for Conformer Generation Derived from X-ray Structures. J. Chem. Inf. Model. 46 (6) (2006)
Jonas Boström, Markus Böhm, Klaus Gundertofte, Gerhard Klebe
Receptor Antagonists. J. Chem. Inf. Comput. Sci. 43 (3) (2003)
Jonas Boström
Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools. J. Comput. Aided Mol. Des. 15 (12) (2001)
Jonas Boström, Klaus Gundertofte, Tommy Liljefors
A pharmacophore model for dopamine D4 receptor antagonists. J. Comput. Aided Mol. Des. 14 (8) (2000)
Jonas Boström, Per-Ola Norrby, Tommy Liljefors
Conformational energy penalties of protein-bound ligands. J. Comput. Aided Mol. Des. 12 (4) (1998)