Cheminformatics



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ACD/Percepta  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/Percepta A powerful platform that delivers reliable in-silico predictors for physicochemical properties, ADME characteristics, and toxicity endpoints in one seamless environment.
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Ensemble for Chemistry  
PerkinElmer, Inc.

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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...
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VLifeMDS Molecular Design Suite  
VLife Sciences Technologies Pvt. Ltd.

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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...
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ACD/Spectrus Processor  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/Spectrus Processor - All-in-One, multi-technique analytical data handling and chemical characterization. Developed specifically for the workflows of synthetic chemists, ACD/Spectrus...
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Ensemble for Life Science  
PerkinElmer, Inc.

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Social Network meets the R&D lab Ensemble for Life Science blends social networking, personal publication, and refined data mining to assist internal and external research communication...
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VLife QSARpro  
VLife Sciences Technologies Pvt. Ltd.

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QSARpro software is designed for identifying the relationship activity with structural parameters and its analysis. What QSARpro offers: • It evaluates more than 1000 molecular...
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ChemBook (E-WorkBook for chemistry)  
IDBS

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Providing a complete research management environment that allows chemists to manage the entire lifecycle of their research, ChemBook (E-WorkBook for chemistry) extends the...
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ACD/IXCR  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/IXCR - Intelligent Compound Recognition using component detection software and spectral matching capabilities. Reduce the time spent on manual interpretation, searching, and...
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ActivityBase Suite  

4 out of 5


IDBS

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IDBS ActivityBase  - Capture, store, secure, analyze and share discovery data The IDBS ActivityBase suite provides efficient and effective drug discovery data management, enabling...
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  • Ease of use 3 out of 5
  • After sales service 4 out of 5
  • Value for money 3 out of 5

2 review(s) of this product / read all

Structure Designer  
Advanced Chemistry Development, Inc., (ACD/Labs)

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Structure Designer - Software for the optimization of chemical structures with regard to physicochemical property endpoints. Structure Design Suite (SDS) is a tool to help chemists...
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TargetLynx  
Waters

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The TargetLynx™ Application Manager automates sample data acquisition, processing and reporting for quantitative results. It incorporates a range of confirmatory checks that identify...
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Compass  
Bruker Daltonics

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Compass™ is Bruker Daltonic´s new unified software environment for intuitive mass spectrometric instrument control and data processing, as well as for powerful chemoinformatics and...
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Compass OpenAccess  
Bruker Daltonics

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Deliver an expert analytical result first time for every walkup lab user, independent of their knowledge or experience. Compass OpenAccess puts the most sophisticated mass spectrometry...
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flexImaging  
Bruker Daltonics

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MALDI Imaging is gaining a lot attention in the context of quantitative proteomics and biomarker detection in Clinical Proteomics. Bruker Daltonics contributes to this innovation with a...
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Metabolite Tools  
Bruker Daltonics

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Metabolite Tools is a software package dedicated to the identification and confirmation of expected and known metabolites as well as the elucidation of unknowns. Predict and detect...
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ProfileAnalysis  
Bruker Daltonics

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ProfileAnalysis enables smooth and easy analysis using fully unsupervised methods like Principal Component Analysis (PCA) and supervised methods such as PLS or student’s t-test. It...
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ProteinScape  

4 out of 5


Bruker Daltonics

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ProteinScape is the central bioinformatics platform for storage and processing of MS data. It organizes all relevant data for all types of proteomics projects – including LC-data, gel...
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  • Ease of use 3 out of 5
  • After sales service 4 out of 5
  • Value for money 4 out of 5

1 review(s) of this product / read all

TargetAnalysis  
Bruker Daltonics

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Analysis of hundreds of target compounds within a single run requires a sophisticated, data-based solution. Based on high resolution and precise mass, in combination with True Isotopic...
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ACD/Boiling Point  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/Boiling Point calculates the boiling point for a compound, from 0.001 torr to 7600 torr. This module also calculates vapor pressure at different temperature values, flash points, and...
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ACD/ChromGenius  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/ChromGenius ACD/ChromGenius predicts retention times and chromatograms based on the structures of the compounds to be separated, and allows you to select the best generic separation...
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ACD/Curve Manager  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/Curve Manager is designed to process, analyze, and manage experimental (or calculated) data from diverse sources. It is a generic instrumental analysis tool that boasts potential...
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ACD/I-Lab  
Advanced Chemistry Development, Inc., (ACD/Labs)

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Reduce the need for labor intensive experimental testing and literature searches, by using the online ACD/I-Lab prediction engine to predict physiochemical properties, NMR spectra and...
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ACD/LC & GC Simulator  

5 out of 5


Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/LC and GC Simulator ACD/LC and GC Simulator help you to optimize concentration gradient, temperature, and resolution of your separation during method development. Using either a...
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  • Ease of use 5 out of 5
  • After sales service 4 out of 5
  • Value for money 5 out of 5

1 review(s) of this product / read all

ACD/LogP DB  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/LogP DB calculates the octanol-water partition coefficient (P) for a wide range of neutral chemical compounds. It also provides calculation of Lipinski's Rule-of-5 parameters; polar...
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ACD/MS Fragmenter  
Advanced Chemistry Development, Inc., (ACD/Labs)

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ACD/MS Fragmenter Predict mass fragmentation in just seconds with ACD/MS Fragmenter. Simply draw a structure, select an ionization technique and polarity, and get instant predictions for...
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