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Journal of Cheminformatics
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December 3, 2015
A note on utilising binary features as ligand descriptors
Hamse Y Mussa, John B O Mitchell, Robert C Glen
Journal of Cheminformatics
|
November 20, 2013
CH5M3D: an HTML5 program for creating 3D molecular structures
Clarke W Earley
Journal of Cheminformatics
|
December 4, 2015
High-quality and universal empirical atomic charges for chemoinformatics applications
Stanislav Geidl, Tomáš Bouchal, Tomáš Raček, et al.
Journal of Cheminformatics
|
February 4, 2016
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling
Tailong Lei, Youyong Li, Yunlong Song, et al.
Journal of Cheminformatics
|
April 1, 2016
Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes
Gergely Zahoránszky-Kőhalmi, Cristian G Bologa, Tudor I Oprea
Journal of Cheminformatics
|
May 31, 2016
Badapple: promiscuity patterns from noisy evidence
Jeremy J Yang, Oleg Ursu, Christopher A Lipinski, et al.
Journal of Cheminformatics
|
November 24, 2017
Efficient conformational ensemble generation of protein-bound peptides
Yumeng Yan, Di Zhang, Sheng-You Huang
Journal of Cheminformatics
|
December 15, 2017
Can human experts predict solubility better than computers?
Samuel Boobier, Anne Osbourn, John B O Mitchell
Journal of Cheminformatics
|
November 17, 2017
An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm
Bo-Han Su, Meng-Yu Shen, Yeu-Chern Harn, et al.
Journal of Cheminformatics
|
November 1, 2017
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
Egon L Willighagen, John W Mayfield, Jonathan Alvarsson, et al.
Page
of 137
Search research articles
Search
Showing results (461-470 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
December 3, 2015
A note on utilising binary features as ligand descriptors
Hamse Y Mussa, John B O Mitchell, Robert C Glen
Journal of Cheminformatics
|
November 20, 2013
CH5M3D: an HTML5 program for creating 3D molecular structures
Clarke W Earley
Journal of Cheminformatics
|
December 4, 2015
High-quality and universal empirical atomic charges for chemoinformatics applications
Stanislav Geidl, Tomáš Bouchal, Tomáš Raček, et al.
Journal of Cheminformatics
|
February 4, 2016
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling
Tailong Lei, Youyong Li, Yunlong Song, et al.
Journal of Cheminformatics
|
April 1, 2016
Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes
Gergely Zahoránszky-Kőhalmi, Cristian G Bologa, Tudor I Oprea
Journal of Cheminformatics
|
May 31, 2016
Badapple: promiscuity patterns from noisy evidence
Jeremy J Yang, Oleg Ursu, Christopher A Lipinski, et al.
Journal of Cheminformatics
|
November 24, 2017
Efficient conformational ensemble generation of protein-bound peptides
Yumeng Yan, Di Zhang, Sheng-You Huang
Journal of Cheminformatics
|
December 15, 2017
Can human experts predict solubility better than computers?
Samuel Boobier, Anne Osbourn, John B O Mitchell
Journal of Cheminformatics
|
November 17, 2017
An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm
Bo-Han Su, Meng-Yu Shen, Yeu-Chern Harn, et al.
Journal of Cheminformatics
|
November 1, 2017
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
Egon L Willighagen, John W Mayfield, Jonathan Alvarsson, et al.
Page
of 137