All Chemical modelling software


Streamlining MS data extraction and correlation

Advanced Chemistry Development | Added: 22 Mar 2004

The new correlation analysis algorithms determine the similarity or dissimilarity between successiv…

Mass spectrometry software is enhanced

Advanced Chemistry Development | Added: 19 Mar 2004

Mass chromatogram interface and analysis features have been streamlined and significantly improved …

Hyphenated data support and visualisation

Advanced Chemistry Development | Added: 18 Mar 2004

Module allows users to visualise hyphenated data from various file formats in three dimensions so t…

Further enhancements to X-ray diffraction software

PANalytical | Added: 17 Mar 2004

Upon completion of a stress measurement, the analysis can be performed automatically according to s…

Multivariate curve resolution for UV-IR

Advanced Chemistry Development | Added: 11 Mar 2004

Simplified algorithm resolves mixture data into pure compound spectra and concentration profiles so…

GC/MS data to 21 CFR

Agilent Technologies Europe | Added: 10 Mar 2004

Data system for gas chromatography/mass spectrometry provides productivity and compliance support f…

pKa prediction accelerates method development

Advanced Chemistry Development | Added: 9 Mar 2004

Capability will enable chromatographers to better select the mobile phase pH for new experiments ba…

Ion chromatography software updated

Metrohm (UK) | Added: 27 Feb 2004

Key features include Part 11 compliance, audit trails for the entire system as well as for each chr…

Tighter link between measurement and prediction

Advanced Chemistry Development | Added: 16 Feb 2004

Updated software provides what are claimed to be the industry's most accurate prediction algorithms…

Novel approach to property-based drug design

Advanced Chemistry Development | Added: 10 Feb 2004

Prediction algorithms enable medicinal chemists to accurately calculate a multitude of physicochemi…

Software now controls Agilent 6890

DataApex | Added: 5 Feb 2004

The control of the gas chromatograph enables software to provide integrated instrument control and …

CDS now has instrument control capability

Thermo Fisher Scientific (Informatics) | Added: 4 Feb 2004

Independent instrument control for chromatography data system allows users to quickly incorporate n…

Software makes ion chromatography simple

Metrohm (UK) | Added: 2 Feb 2004

Additional user interface on top of regular chromatography software allows even complex systems to …

Analysis of complex chromatographic spectral data

SpectralWorks | Added: 27 Jan 2004

Vendor-independent analysis software package for any chromatographic mass spectral data offers many…

Systematic naming tools deployed at Incyte

Advanced Chemistry Development | Added: 15 Jan 2004

Server-based chemical prediction and search technology enables users within an organisation to acce…

Predictive modelling software for chemists

Equbits | Added: 8 Jan 2004

First SVM based predictive modelling software designed for chemists and informatics professionals m…

Automated discovery HPLC systems

Shimadzu Scientific Instruments | Added: 8 Jan 2004

A queue-based sample submission interface allows users to submit samples on a first-come, first-ser…

Chromatography data agreement

Scientific Software (now part of Agilent) | Added: 23 Dec 2003

Nanostream will offer Scientific Software's chromatography data system, EZChrom Elite, for use with…

Flash chromatography software

Biotage | Added: 19 Dec 2003

Software performs real-time chromatography data analysis and instructs the instruments to collect t…

Merck makes connections

Labtronics | Added: 8 Dec 2003

Merck is now transparently transferring sample information and data between its Lims and over 80 in…