by Mestrelab Research
Automated workflows for NMR, LC/GC-MS, and chromatography data processing, analysis, and reporting in batch and real-time modes.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Store, search, and share NMR, LC-MS, GC-MS, and chemical structure data with ranked queries by structure and analytical parameters.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Unified data browser connecting to multiple providers for seamless retrieval, modification, and storage of spectral data within analytical workflows.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Automatic structure identity confirmation using NMR and LC/GC-MS data with intelligent scoring and batch processing.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Computer-assisted structure elucidation from NMR data through a simple, interactive workflow.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Quantitative analysis of target–ligand interactions by automated CSP NMR titration processing, peak tracking, and binding constant calculation.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Quantitative NMR analysis for concentration and purity/potency determination with manual, assisted, and automated batch processing.
Scientific Informatics & Analytical Platformsby Mestrelab Research
NMR chemical shift prediction from structures using ensemble algorithms combining machine learning, HOSE-code, and increments methods.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Identification and quantification of components in mixtures via 1D and 2D NMR spectral analysis.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Multivariate analysis with PCA, PLS, and SIMCA for spectral data exploration, regression, and classification.
Scientific Informatics & Analytical Platformsby Mestrelab Research
NMR analysis and fingerprinting for higher order structure assessment of biotherapeutics like monoclonal antibodies.
Scientific Informatics & Analytical Platformsby Mestrelab Research
Kinetic curve generation and real-time analysis from NMR spectra collected during chemical reactions.
Scientific Informatics & Analytical Platforms
by Uncountable Inc.
Experiment data collection, management, and visualization for R&D teams to accelerate discovery.
Scientific Informatics & Analytical Platforms
by Uncountable Inc.
Data visualization, statistical analysis, and reporting for enterprise R&D labs—20+ charts, ANOVA, DOE, and ELN in one integrated system.
Scientific Informatics & Analytical Platforms
by Matrix Science
Protein identification from mass spectrometry data using peptide mass fingerprinting, sequence query, and MS/MS ions search.
Scientific Informatics & Analytical Platforms
by Matrix Science
Quantify proteins and peptides from mass spectrometry data across Agilent, Bruker, SCIEX, Shimadzu, Thermo, and Waters instruments.
Scientific Informatics & Analytical Platforms
by Matrix Science
Automated batch and real-time submission of mass spectrometry data files to Mascot Server for protein identification and characterization.
Scientific Informatics & Analytical Platforms
by Matrix Science
Object-oriented API for accessing Mascot result and configuration files in C++, C#, Java, Perl, or Python.
Scientific Informatics & Analytical Platformsby ThinkBio.Ai
AI-driven orchestration connecting experimental design, clinical planning, and lab operations into unified, evidence-driven R&D workflows.
Scientific Informatics & Analytical Platforms
by Schrödinger
Centralized molecular design and discovery environment integrating experimental and computational data with predictive modeling for drug discovery teams.
Scientific Informatics & Analytical Platforms