Macs in Chemistry

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Mnova 14.3 released


Mnova has just been updated and it runs on Apple Silicon.

Just to highlight a couple of new features

New Product! Mnova Screen 2D. Efficient Batch Processing Tools for Lead Discovery using Protein-Observed 2D NMR

This product is related to Mnova Screen, which can be used to process ligand-observed 1D NMR spectra (STD, T1rho, CPMG, WaterLogsy, etc.). Screen 2D processes the protein-observed 2D 1H-15N, 1H-13C, or H1-13C/15N dual heteronuclear correlation (HSQC or HMQC) spectra to find binding ligands based on chemical shift perturbations.

Save the Whole Document as JCAMP - Mnova General

An enhancement to the way we handle JCAMP files. We have implemented a new file filter, "JCAMP-DX Document” (*.jdx *.dx *.jcm *.cs *.jcamp), which is analogous to the other JCAMP-DX except for the fact that when saving, it saves the entire document.

SIMCA Model Classification - Chemometrics. Soft independent modelling by class analogy (SIMCA) is a statistical method for supervised classification of data.

In order to build the classification models, the samples belonging to each class need to be analyzed using principal component analysis (PCA), from which only the significant components are retained.

Full details and download link are here

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