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Calculator Plugins (logP logD pKa etc...), MarvinSketch, Instant JChem, JChem Base, JChem Cartridge, MarvinView, Standardizer, JKlustor, Reactor, Screen, Markush search, JChem for Excel, Markush enumeration, Naming, MarvinSpace, JChem for SharePoint, KNIME, chemicalize.org, JChem Web Services, Pipeline Pilot, Fragmenter, (more products) Metabolizer, InforSense, Molconverter, Structure Checker, JChem Registration System

A screening study of ChirBase molecular database to explore the expanded chiral pool derived from the application of chiral chromatography Publication

” 28,000 chiral compounds separated by chiral chromatography have been selected in ChirBase database. The enantiomers of this library can be considered as potentially being isolable…
September 2008 Authors: , ()
Products: JChem Base, Reactor, Fragmenter

JChem AnalogMaker: A software for generating targeted novel synthetically feasible lead molecules Poster

urea
JChem AnalogMaker is a program for de novo design and lead optimization. It uses an evolutionary search algorithm to optimize fragment-built molecules against a user customizable goal fun…
April 2004 Authors: , , , , , , ()
Related products: Screen, JKlustor, Calculator Plugins (logP logD pKa etc...)

Fragmenter Presentation

September 2005 Author: ()
Related products: Standardizer, MarvinView

Chemoinformatics: Theory, Practice and Products; Chapter 2.7 Publication

Product overview in the Chapter 2.7 of the Chemoinformatics: Theory, Practice and Products book, Page 87.
January 2007 Authors: , , , (, )
Products: JChem Base, Fragmenter, Reactor

KNOWTOX, a Franco-Hungarian collaborative project relative to toxicity Presentation

aureus
Drug-induced hepatotoxicity or liver damage/disease is a major concern during the drug development process. Toxicity knowledge exists but data is scattered in numerous sources and can not…
June 2007 Author: ()
Products: Reactor, Fragmenter, Screen

Assessment of GPCR ligands Diversity Using Molecular Properties-Based Functional Radars and Fragment Analysis Poster

fragmenter
By collecting chemical structures of ligands, associated targets with all reported in vitro and in vivo pharmacological responses from the literature, we have built a GPCR knowledgebase. …
May 2008 Authors: , , , , , ()
Products: Calculator Plugins (logP logD pKa etc...), Fragmenter
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