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Chemmedchem
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March 17, 2007
Chemical space travel
Ruud van Deursen, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
January 10, 2013
MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13
Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
Journal of Cheminformatics
|
December 9, 2024
Be aware of overfitting by hyperparameter optimization!
Igor V Tetko, Ruud van Deursen, Guillaume Godin
Biochemical Pharmacology
|
July 27, 2011
What we have learned from crystal structures of proteins to receptor function
J-L Reymond, Ruud van Deursen, D Bertrand
Journal of Chemical Information and Modeling
|
October 16, 2010
A searchable map of PubChem
Ruud van Deursen, Lorenz C Blum, Jean-Louis Reymond
Journal of Computer-Aided Molecular Design
|
May 28, 2011
Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem
Ruud van Deursen, Lorenz C Blum, Jean-Louis Reymond
Journal of Computer-Aided Molecular Design
|
May 28, 2011
Visualisation and subsets of the chemical universe database GDB-13 for virtual screening
Lorenz C Blum, Ruud van Deursen, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
September 23, 2020
Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints
David J Ponting, Ruud van Deursen, Martin A Ott
Chimia
|
February 1, 2012
Exploring the chemical space of known and unknown organic small molecules at www.gdb.unibe.ch
Jean-Louis Reymond, Lorenz C Blum, Ruud van Deursen
Nature Communications
|
November 5, 2020
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis
Igor V Tetko, Pavel Karpov, Ruud Van Deursen, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Chemmedchem
|
March 17, 2007
Chemical space travel
Ruud van Deursen, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
January 10, 2013
MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13
Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
Journal of Cheminformatics
|
December 9, 2024
Be aware of overfitting by hyperparameter optimization!
Igor V Tetko, Ruud van Deursen, Guillaume Godin
Biochemical Pharmacology
|
July 27, 2011
What we have learned from crystal structures of proteins to receptor function
J-L Reymond, Ruud van Deursen, D Bertrand
Journal of Chemical Information and Modeling
|
October 16, 2010
A searchable map of PubChem
Ruud van Deursen, Lorenz C Blum, Jean-Louis Reymond
Journal of Computer-Aided Molecular Design
|
May 28, 2011
Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem
Ruud van Deursen, Lorenz C Blum, Jean-Louis Reymond
Journal of Computer-Aided Molecular Design
|
May 28, 2011
Visualisation and subsets of the chemical universe database GDB-13 for virtual screening
Lorenz C Blum, Ruud van Deursen, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
September 23, 2020
Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints
David J Ponting, Ruud van Deursen, Martin A Ott
Chimia
|
February 1, 2012
Exploring the chemical space of known and unknown organic small molecules at www.gdb.unibe.ch
Jean-Louis Reymond, Lorenz C Blum, Ruud van Deursen
Nature Communications
|
November 5, 2020
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis
Igor V Tetko, Pavel Karpov, Ruud Van Deursen, et al.
Page
of 2