Slide 1Solutions for Cheminformatics April 2010 Company and product overview Slide 2 ChemAxon fingerprint Founded in 1998, based in Budapest, Hungary Database management…
Slide 1Solutions for Cheminformatics November 2008 Migration from ISIS environment Szabolcs Csepregi et al Slide 2 Migration - Topics ChemAxon - Product Overview From Isis/Host…
Slide 1Java Solutions for Cheminformatics Structure based predictions – new plugins Zsolt Mohácsi, Nóra Máté, József Szegezdi, Ödön Farkas, Gábor Imre, Imre Jákli…
Slide 1Solutions for Cheminformatics Marvin features and news Akos Papp Slide 2 Main original features – 1 2D and 3D sketching and viewing –Isotopes, charges, radicals,…
Slide 1Substituents and Bio- isosteres in Medicinal Chemistry Scott Jarvis Prof. Charette’s Laboratories Based largely on “The Practice of Medicinal Chemistry”, Elsevier…
1. Pharmaceutical Chemistry 2Lecture 2 11/12/14 2. QSARThe most lethal compound in this assay waschlorpromazine, with a BR (LD100) of only 0.00000631mmol; and the least active…
1. VIRTUAL SCREENING INDRUG DISCOVERYCheminformatics Approachdsdht.wikispaces.comAbhik SealIndiana University Bloomington(dsdht.wikispaces.com) 2. Challenge in Drug DiscoveryBiological…
Ontology work at the Royal Society of Chemistry Antony J. Williams, Colin Batchelor, Peter Corbett, Jon Steele and Valery Tkachenko ACS Dallas March 16th 2014 Royal Society…