by nuna.digital

ACD/Labs

Develops software for R&D that enhances scientific insights, collaboration, and efficiency with features like data handling, in silico predictions, and chemical intelligence.

Overview

ACD/Labs specializes in creating software tailored for research and development in the scientific field. Their solutions are designed to provide insights, foster collaboration, improve efficiency, and accelerate innovation.

Their software offers:

Vendor-agnostic, multi-technique analytical data handling
Reliable in silico predictions
Data-driven decision support
Dynamic visualization
Chemical intelligence
Contextual knowledge management
Enterprise-level automation

ACD/Labs addresses the unique needs of scientific research, moving beyond in-house solutions or generic software that lacks a chemist's perspective. Their products are crafted with scientific tasks and workflows in mind, ensuring that R&D teams can operate more effectively.

With over two decades of experience, ACD/Labs is committed to developing cutting-edge technology that evolves with the needs of researchers. Their software is widely used by leading pharmaceutical, biopharmaceutical, and biotech companies, as well as top universities worldwide.

Testimonials from clients highlight the software's ability to improve quality records, reduce data analysis cycle times, and enhance productivity by managing analytical work and creating comprehensive databases.

Tools

Predict solvation-associated properties and Abraham coefficients from chemical structures for solutes.

Software for generating accurate IUPAC nomenclature, chemical structures, reaction schemes, and spectra for scientific publications and patents.

Predicts pharmacokinetic properties like absorption, distribution, metabolism, and excretion for high-throughput screening and safety assurance.

Software for developing chromatographic methods using QbD principles, automating experiments, and optimizing separations in 1D, 2D, or 3D.

ChemAnalytical Workbook

Centralizes and manages analytical data from various techniques and formats, enabling storage, processing, and sharing of live data with chemical context.

A molecular structure drawing application that calculates molecular descriptors, generates IUPAC names, and creates professional reports.

Impurity Profiling Suite

Predicts genotoxic and carcinogenic potential of pharmaceutical impurities to comply with ICH M7(R2) guidelines, aiding in regulatory submissions.

Streamlines high throughput experimentation by consolidating data, automating analysis, and integrating AI/ML for efficient decision-making.

Software for integrated experiment design, execution, and analysis in high-throughput synthesis, process optimization, and preformulation studies.

Predicts octanol-water distribution coefficients from molecular structures, considering various pH levels and customizable with experimental data.

Predicts octanol-water partition coefficients from chemical structures to assess hydrophobicity.

Software for managing pharmaceutical and chemical supply chains, ensuring product quality through integrated data management and batch tracking.

A platform for consolidating and managing CMC data to streamline pharmaceutical and chemical development processes.

Software for consolidating and managing pharmaceutical and chemical development data, enabling seamless collaboration and efficient decision-making.

Software for metabolite identification and analysis, integrating prediction, data analysis, and visualization in a single interface for efficient decision-making.

Method Selection Suite

Software for developing and optimizing chromatographic methods using predictive models and simulations to enhance method robustness and efficiency.

Predicts mass spectral fragmentation for compounds, aiding in compound identification and understanding fragmentation mechanisms.

MS Structure ID Suite

Software for identifying unknown compounds in complex samples using LC/MS and GC/MS data, with database searches and candidate narrowing.

MS Workbook Suite

Software for mass spectral data analysis and management, supporting MS, LC/MS, and GC/MS data from various vendors, with features for peak annotation, compound identification, and database creation.

Generates IUPAC names from chemical structures and converts names to structures, handling complex nomenclature with systematic accuracy.

Predicts 1D and 2D NMR spectra for various nuclei, calculates chemical shifts and coupling constants, and allows algorithm training with in-house data for improved accuracy.

NMR Workbook Suite

Comprehensive software for NMR data processing, analysis, and structure verification, supporting 1D and 2D data from major vendors.

A platform for predicting and managing physicochemical, ADME/Tox, and other molecular property data from structure, supporting in silico calculations and model training.

Predict physicochemical properties like LogP, LogD, pKa, and solubility for organic compounds, aiding in QSPR screening and lead optimization.

Predicts acid dissociation constants for organic molecules from structure, visualizes ionizable centers, and assesses pKa reliability.

Web applications for processing and managing analytical data from various instruments in a browser-based interface.

Spectrus Platform

Software for automating workflows, analyzing mass spectrometry data, and integrating data from multiple vendors into a unified database.

Spectrus Processor

Software for processing, analyzing, and reporting spectrometric and spectroscopic data from various analytical techniques.

Structure Elucidator

Software for NMR data analysis, structure verification, and reporting with automation and databasing features.

Structure Elucidator Suite

Software for de novo elucidation of complex organic structures using NMR and MS data, generating and ranking candidate structures.

Structure Elucidator Suite

Software for chemical structure elucidation and verification, integrating multiple data types for efficient analysis and decision-making.

Predicts toxicity endpoints and calculates safety parameters for drug candidates using structure-based analysis.

Links