Slide 1August 2010, ACS National meeting, Boston Representation of Markush structures from molecules towards patents Szabolcs Csepregi Solutions for Cheminformatics Slide…

Slide 1Pipeline Pilot Integration Szilard Dorant Solutions for Cheminformatics Slide 2 The Component Collection: Quick facts Provides access to ChemAxon tools from Pipeline…

Slide 1Whats new in JChem back-end and Markush storage, search and enumeration Szabolcs Csepregi Solutions for Cheminformatics Slide 2 Contents ChemAxon chemical database…

Slide 1Training pK a and logP prediction Jozsef Szegezdi Solutions for Cheminformatics Slide 2 logP calculation models in Marvin ModelsTraining set size Number of parameters…

Slide 1The new JKlustor suite Miklós Vargyas Solutions for Cheminformatics Slide 2 2 Why do we cluster? to reduce the number of objects to deal with –group subsets together…

Slide 1JChem for Excel Tamas Pelcz Solutions for Cheminformatics Slide 2 What is new since last year? Changed the way structures are handled Major improvements in performance…

Slide 1Prediction of Xenobiotic Metabolism and Major Metabolites György Pirok Solutions for Cheminformatics Slide 2 The KnowTox project hepatotoxicity toxicity metabolism…

Slide 1Interfacing the JChem Suite outside of Java Jonathan Lee Solutions for Cheminformatics Slide 2 Outline JChem Interfaces Situational Factors SQL.NET Web Services –Details…

Slide 1Welcome to San Diego!! Alex Drijver, CEO Solutions for Cheminformatics Slide 2 Product Map Slide 3 The Art of Componentry Cheminformatics specialized Toolkit / components…

Slide 1ChemAxon in 3D Gábor Imre, Adrián Kalászi and Miklós Vargyas Solutions for Cheminformatics Slide 2 Talk overview ChemAxons 2D tradition –visualize –depict/edit…