ChemAxon launches new prediction tools and improved 3D generation in Marvin 3.4.

news · 14 years ago
BUDAPEST, Hungary, July 14 /PRNewswire/ -- ChemAxon, a software solutions provider for life sciences, today announced the launch of four new structure based Calculation Plugins; hydrogen bond hydrogen bond n. A chemical bond in which a hydrogen atom of one molecule is attracted to an electronegative atom, especially a nitrogen, oxygen, or fluorine atom, usually of another molecule. acceptor/donor, major microspecies, reactivity and refractivity as well as the 3.4 release of Marvin, ChemAxon's Java based chemical editor and viewer. ChemAxon's Calculator Plugins are a growing range of structure based prediction tools to give chemists data useful in characterizing and understanding molecular structures. Able to be used within any cheminformatics platform, ChemAxon's Calculation Plugins are implemented within Marvin and JChem, ChemAxon's suites of cheminformatic and discovery toolkits. Existing Calculation Plugins include; pKa, logP, logD, polar surface area The Polar Surface Area (PSA) is defined as the surface sum over all polar atoms, (usually oxygen and nitrogen), including also attached hydrogens. PSA is a commonly used medicinal chemistry metric for the optimisation of cell permeability. Click the link for more information., charge distribution and polarizability, however as an open plugin format users can create and deploy their own prediction tools. Since its launch in 1999, Marvin has become a popular and powerful chemistry editor and viewer with deployments throughout life science research, online publishing and education. The arrival of the 3.4 version sees full support for SMARTS(R) format, faster performance and conformer generation support in the 3D engine. For more information or to download the Marvin please visit http://revamp.chemaxon.com/marvin.