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Bioorganic & Medicinal Chemistry
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April 3, 2012
Cluster analysis of the DrugBank chemical space using molecular quantum numbers
Mahendra Awale, Jean-Louis Reymond
Journal of Cheminformatics
|
March 9, 2017
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data
Mahendra Awale, Jean-Louis Reymond
Journal of Molecular Modeling
|
July 16, 2008
Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase
Mahendra Awale, C Gopi Mohan
Journal of Chemical Information and Modeling
|
July 25, 2015
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces
Mahendra Awale, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
July 3, 2014
Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17
Mahendra Awale, Jean-Louis Reymond
Journal of Molecular Graphics & Modelling
|
December 7, 2007
3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors
Mahendra Awale, C Gopi Mohan
Methods in Molecular Biology (Clifton, N.J.)
|
December 7, 2018
Web-Based Tools for Polypharmacology Prediction
Mahendra Awale, Jean-Louis Reymond
Nucleic Acids Research
|
May 1, 2014
A multi-fingerprint browser for the ZINC database
Mahendra Awale, Jean-Louis Reymond
Journal of Cheminformatics
|
May 6, 2016
Web-based 3D-visualization of the DrugBank chemical space
Mahendra Awale, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
December 19, 2018
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning
Mahendra Awale, Jean-Louis Reymond
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Bioorganic & Medicinal Chemistry
|
April 3, 2012
Cluster analysis of the DrugBank chemical space using molecular quantum numbers
Mahendra Awale, Jean-Louis Reymond
Journal of Cheminformatics
|
March 9, 2017
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data
Mahendra Awale, Jean-Louis Reymond
Journal of Molecular Modeling
|
July 16, 2008
Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase
Mahendra Awale, C Gopi Mohan
Journal of Chemical Information and Modeling
|
July 25, 2015
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces
Mahendra Awale, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
July 3, 2014
Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17
Mahendra Awale, Jean-Louis Reymond
Journal of Molecular Graphics & Modelling
|
December 7, 2007
3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors
Mahendra Awale, C Gopi Mohan
Methods in Molecular Biology (Clifton, N.J.)
|
December 7, 2018
Web-Based Tools for Polypharmacology Prediction
Mahendra Awale, Jean-Louis Reymond
Nucleic Acids Research
|
May 1, 2014
A multi-fingerprint browser for the ZINC database
Mahendra Awale, Jean-Louis Reymond
Journal of Cheminformatics
|
May 6, 2016
Web-based 3D-visualization of the DrugBank chemical space
Mahendra Awale, Jean-Louis Reymond
Journal of Chemical Information and Modeling
|
December 19, 2018
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning
Mahendra Awale, Jean-Louis Reymond
Page
of 4