Prediction of Chemical Biodegradability Using Support Vector Classifier Optimized with Differential Evolution

Journal of Chemical Information and Modeling

DOI: 10.1021/ci500323t

from Journal of Chemical Information and Modeling: Latest Articles (ACS Publications) http://ift.tt/1w0Zwbu

via IFTTT

Pathogenicity in Humans: a machine learning approach.

Reduced Set of Virulence Genes Allows High Accuracy Prediction of Bacterial Pathogenicity in Humans.
Iraola G, Vazquez G, Spangenberg L, Naya H (2012) Reduced Set of Virulence Genes Allows High Accuracy Prediction of Bacterial Pathogenicity in Humans. PLoS ONE 7(8): e42144. doi:10.1371/journal.pone.0042144

some FAQ about WEKA

Taken from Nasimeh Asgharian FAQ web page.
 http://webdocs.cs.ualberta.ca/~nasimeh/Cheatsheet/#Interactive

• What is Lasso/LARS
  • Matlab Code
  • Reading group papers
• Is there any Bayesian Network software available?
• Weka Questions:
  • How to increase memory for running Weka
  • How to run Weka from command line
  • How to do in-fold feature selection in Weka
  • Bayes Net in Weka

A short list of Cheminformatics related Journals

• Journal of Theoretical and Computational Chemistry (JTCC)   0.80
• Chemical Physics
• Macromolecular Rapid Communications
• Macromolecular Theory and Simulations  1.44   
• Journal of Chemical information and Modeling
• European Polymer Journal
• Macromolecules
• Polymer Engineering and Science
• Journal of Materials Science
• Computational and Theoretical Chemistry Formerly known as: Journal of Molecular Structure: THEOCHEM  1.288 (2010)
• Colloid and Polymer Science 2.44
• Journak of Physical Chemistry B  3.6
• Journal of Molecular Modeling  1.87  
• Molecular informatics 
• Journal of Cheminformatics
• Journal of Molecular Graphics and Modelling
• Journal of Scientific Computing (Springer 1.25)

A comprehensive and detailed essay about Y-Scrambling/Y-Randomization.

(A)

Y-Randomization – A Useful Tool in QSAR Validation, or Folklore? - Christoph Rücker, Gerta Rücker, and Markus Meringer

(B)

J Chem Inf Model. 2007 Nov-Dec;47(6):2345-57. Epub 2007 Sep 20.

y-Randomization and its variants in QSPR/QSAR.

Rücker C, Rücker G, Meringer M.

Source

Biozentrum, University of Basel, 4056 Basel, Switzerland. christoph.ruecker@uni-bayreuth.de

Cheminformatics

Cheminformatics for development of new materials (by Ricardo Stefani - in portuguese)

Quimioinformatica

View more presentations from Ricardo Stefani

comp.ai.neural-nets FAQ, Part 1 of 7: Introduction

Neural Networks FAQ

comp.ai.neural-nets FAQ, Part 1 of 7: Introduction