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Journal of Cheminformatics
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April 5, 2016
Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals
Kirill Okhotnikov, Thibault Charpentier, Sylvian Cadars
Journal of Cheminformatics
|
November 1, 2017
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
Ivana Blaženović, Tobias Kind, Hrvoje Torbašinović, et al.
Journal of Cheminformatics
|
November 1, 2017
ChemSAR: an online pipelining platform for molecular SAR modeling
Jie Dong, Zhi-Jiang Yao, Min-Feng Zhu, et al.
Journal of Cheminformatics
|
November 1, 2017
Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds
Ludovic Chaput, Liliane Mouawad
Journal of Cheminformatics
|
November 1, 2017
Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR
Dilip Narayanan, Osman A B S M Gani, Franz X E Gruber, et al.
Journal of Cheminformatics
|
November 1, 2017
Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses
Stefan Senger
Journal of Cheminformatics
|
November 1, 2017
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
Eelke B Lenselink, Niels Ten Dijke, Brandon Bongers, et al.
Journal of Cheminformatics
|
November 1, 2017
Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
Michael A Skinnider, Chris A Dejong, Brian C Franczak, et al.
Journal of Cheminformatics
|
November 1, 2017
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery
Man-Ling Lee, Ignacio Aliagas, Jianwen A Feng, et al.
Journal of Cheminformatics
|
November 19, 2015
An in silico MS/MS library for automatic annotation of novel FAHFA lipids
Yan Ma, Tobias Kind, Arpana Vaniya, et al.
Page
of 137
Search research articles
Search
Showing results (891-900 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
April 5, 2016
Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals
Kirill Okhotnikov, Thibault Charpentier, Sylvian Cadars
Journal of Cheminformatics
|
November 1, 2017
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
Ivana Blaženović, Tobias Kind, Hrvoje Torbašinović, et al.
Journal of Cheminformatics
|
November 1, 2017
ChemSAR: an online pipelining platform for molecular SAR modeling
Jie Dong, Zhi-Jiang Yao, Min-Feng Zhu, et al.
Journal of Cheminformatics
|
November 1, 2017
Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds
Ludovic Chaput, Liliane Mouawad
Journal of Cheminformatics
|
November 1, 2017
Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR
Dilip Narayanan, Osman A B S M Gani, Franz X E Gruber, et al.
Journal of Cheminformatics
|
November 1, 2017
Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses
Stefan Senger
Journal of Cheminformatics
|
November 1, 2017
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
Eelke B Lenselink, Niels Ten Dijke, Brandon Bongers, et al.
Journal of Cheminformatics
|
November 1, 2017
Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
Michael A Skinnider, Chris A Dejong, Brian C Franczak, et al.
Journal of Cheminformatics
|
November 1, 2017
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery
Man-Ling Lee, Ignacio Aliagas, Jianwen A Feng, et al.
Journal of Cheminformatics
|
November 19, 2015
An in silico MS/MS library for automatic annotation of novel FAHFA lipids
Yan Ma, Tobias Kind, Arpana Vaniya, et al.
Page
of 137