Molecular Recognition Software Products & Reviews

Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate scientific ideas.

Clinical Proteomics must be Sensitive, Fast, and Robust, which Evosep One achieves with perfection  

Analyze and assemble all your 1D and 2D NMR data 

VLifeMDS (Molecular Design Suite), is a computational chemist’s workbench for computer aided drug design (CADD) and molecule discovery. MDS comes with seamless integration to GQSAR, (Group based QSAR) and SCOPE. VLifeMDS facilitates comprehensive in-silico approach to design. It is able to visualize, predict and analyze small molecules and proteins while studying interactions. VLifeMDS extensively deals with:• Protein structur…

The New Standard for Desktop-Based Bioinformatics Tools CLC DNA Workbench provides a software environment which enables users to perform advanced DNA sequence analyses such as assembly of DNA sequence data, graphically and algorithmically advanced primer design, while offering user-friendly molecular cloning tools. CLC DNA Workbench is a bioinformatics software package containing a range of specialized DNA analyses and bioinfo…

IDBS ActivityBase  - Capture, store, secure, analyze and share discovery data The IDBS ActivityBase suite provides efficient and effective drug discovery data management, enabling scientists to work more productively and saving life sciences organizations time and money. From high volume, routine screening through to low throughput data management, ActivityBase provides a secure, consistent and accessible environment for a dru…

A high-performance program for ligand-based drug design Phase is a complete package of pharmacophore modeling tools that offers scientists an unparalleled level of control at each step. Fast, accurate, and highly configurable, Phase is a powerful tool for hit generation and lead hopping. Expert levels of control: Phase distinguishes itself from "black box" software by allowing users to exercise precise control over job sett…

IDBS ActivityBase XE - Superior template design flexibility offers a revolutionary solution for enhancing high throughput screening data management ActivityBase XE delivers ultra high performance screening and flexible data visualization in one single working environment. Easy to use, flexible and intuitive The XE module for IDBS ActivityBase streamlines workflow and optimizes productivity. as well as support for traditional h…

Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules.

Acquire, Analyze & Manage Mass Spectrometry Information in the clinical laboratory

waters_connect is an informatics platform that helps analytical labs, their scientists, and extended ecosystem explore, discover, and push the boundaries of how laboratories use information.

The Waters IdentityE High Definition Proteomics system defines the new standard for rigorous protein identification. The IdentityE High Definition Proteomics System is an UltraPerformance LC® (UPLC)/High-Bandwidth Mass Spectrometry (MS E) system solution suitable for confident protein identification designed to meet stringent requirements as outlined by leading scientific journals.The new Waters IdentityE High Definition Pro…

Ensemble for Chemistry provides a complete, integrated suite of applications that manages chemical structures and their associated data and properties in an efficient and chemically intelligent way, enhancing chemists' productivity and enabling better decision-making. Meeting Chemists' Informatics Needs •   Chemists need tools that understand the chemistry behind the names, structures and reactions, so that compounds can…

Agilent Deconvolution Reporting Software (DRS) for GC/MS is an application for target compound analyses that combines results from the Agilent MSD Productivity ChemStation, the NIST Automated Mass Spectral Deconvolution and Identification Software (AMDIS), and the NIST 2008 Mass Spectral Search Program (NIST08) into one easy-to-read report. 

Protein Analysis Software - the Next GenerationCLC Protein Workbench creates a software environment enabling users to make a large number of advanced protein sequence analyses, combined with smooth data management, and excellent graphical viewing and output options. Protein Workbench sets new standards for bioinformatics software with its overall graphical display, usability driven and user-friendly interface, while featuring…

Free Bioinformatics Software Not a demo. Not scaled down. No spyware. No need to register. Yet still a wide variety of features available - and - free! CLC Free Workbench creates a software environment enabling users to make a large number of bioinformatics analyses, combined with smooth data management, and excellent graphical viewing and output options. Some of the many bioinformatics analyses: • Interactive restriction site…

Fast and Accurate Prediction of NMR Spectra, Chemical Shifts, and Coupling Constants

CDD Vault is a hosted informatics software that enables researchers to intuitively organize and analyze both biological and chemical data, and to collaborate with partners anywhere in the world through a secure web interface.

The latest version of SARview combines a flexible and intuitive user interface for unparalleled usability with IDBS’ new visualization technology – making SARview 6.1 one of the most powerful SAR reporting tools currently available. Incorporating IDBS’ SmartViz technology, SARview delivers multiple data views (in addition to table, tile and profile) within one application – which removes the necessity for third-party reporting…

With the all new CLC RNA Workbench, CLC bio brings you complex analysis of RNA molecules in a fully integrated, user-friendly and graphically advanced bioinformatics framework. Advanced The CLC RNA Workbench gives the user easy access to a range of complex algorithms and options. RNA secondary structures can be predicted using state-of-the-art free energy minimization algorithms and parameters, thermodynamic and statistical d…

Elucidate complex structures from experimental data with the help of expert algorithms

Get systematic chemical names for structures and produce structures from names - ACD/Name generates chemical names according to IUPAC rules, converts chemical names to structures, and easily handles challenging areas of nomenclature.

Predict pharmacokinetic properties from structure

Sorcerer 2 is designed to support multiple researchers, such as in high-throughput laboratories, core facilities and corporate environments.Designed for scientists whose throughput and sophistication needs outgrow their basic all-in-one proteomics software, while offering improved reliability and operating cost compared to cluster computers. High throughput, easy to use Sorcerer 2 is a fully integrated data analysis system tha…

GQSAR (group based QSAR) is a patent pending methodology developed by VLife that simplifies the conventional QSAR approaches by mitigating interpretation challenges. It studies relation of molecular fragments of interest and the variation in their biological response while considering interactions between fragments through cross term fragment descriptors. With GQSAR, users will obtain site specific clues for designing new mole…