DRUG DISCOVERY PRODUCTS & SERVICES

• Breaking The Limits Of Automated Sample Preparation

  Automated nucleic acid purification can deliver high throughput without limiting flexibility or consuming valuable bench space. See how adaptable workflows support efficient sample preparation.

• Hybrid Pipette - Intuitive Manual Control, Rapid Electronic Aliquoting

  Combine precise manual control with rapid repeat dispensing in one instrument. One-handed volume adjustment, intuitive controls, and flexible charging help streamline liquid handling.

• Preclinical Genome Editing Risk Assessment Services

  Regulatory-aligned off-target risk assessment for genome editing programs, from early guide RNA screening through IND-enabling confirmation studies, structured to support FDA submission requirements.

• Designed For Difficult Biology

  Macrocycles expand drug discovery into previously inaccessible targets. With validated success and flexible approaches, they provide a powerful path for tackling the most challenging biology.

• Calculate Physicochemical Properties

  Calculators & Predictors for LogP, LogD, pK_a, Aqueous Solubility, and more…

  The physicochemical properties of a molecule can help you better understand its likely behavior, support QSPR high-throughput screening (HTS) of libraries, and data-driven lead optimization.

  ACD/PhysChem Suite is made up of a number of prediction modules. It provides high-quality, structure-based calculations of physicochemical properties.

  • Predict aqueous solubility,^* boiling point, logD,^* logP,^* pK_a,^* Sigma, and other molecular descriptors for organic compounds, from structure
  • Evaluate the calculated results with sorting, plotting tools
  • Assess the reliability of predicted physicochemical property values
  • Investigate quantitative structure-property relationships, structure modifications, and/or lead optimization for a target profile
  • Train predictors with experimental data to better reflect novel chemical space
  • Include custom models and in-house prediction algorithms

  ^*Models are trainable with experimental data

• Insights For Data-Driven Decisions

  The Percepta Platform is a portfolio of software applications and a technology ecosystem for predicting and managing physicochemical, ADME/Tox, and other molecular property data.

  With Percepta applications you can predict molecular properties from structure, and train models with experimental data. You can even include custom models created in-house to centrally manage in silico calculations and training sets for distribution so that everyone calculating property data is using up-to-date information.

• NMR Software For Data Analysis And Structure Verification

  6/11/2026

  The Ultimate NMR Software for Data Interpretation, Structure Characterization & Knowledge Management

  ACD/NMR Workbook Suite is a comprehensive NMR software application. It features a full suite of advanced processing, analysis, and databasing functionalities for 1D and 2D NMR data from all major vendor formats.

  Use NMR Workbook Suite to:

  • Process and analyze NMR data easily with synchronized peak picking and assignment across datasets
  • Reliably verify chemical structures
  • Quantify and analyze mixtures
  • Create comprehensive reports and publication-ready data
  • Share, manage, and store live NMR spectra linked with structures
• Predict NMR Spectra With Confidence

  6/11/2026

  The Most Accurate 1D and 2D NMR Predictors

  From experimental design to data interpretation, ACD/Labs’ NMR predictors can significantly speed up your workflow. Use ACD/NMR Predictors to:

  • Predict a complete set of 1D and 2D NMR spectra, for ¹H, ¹³C, ¹⁵N, ¹⁹F, and ³¹P nuclei from a chemical structure
  • Calculate chemical shifts and coupling constants in seconds
  • Train the algorithms with in-house data to improve accuracy for novel chemical space
• Generate IUPAC Names From Chemical Structures

  6/11/2026

  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.

  • Generate names for organic; biochemical; and some inorganic, organometallic, and polymer structures
  • Convert systematic or trivial names to structures
• Elucidate Complex Structures From Real Data

  6/11/2026

  Characterize the Best-Fit Structure for Your NMR and MS Data

  ACD/Structure Elucidator Suite is the industry-leading software solution for computer-assisted structure elucidation (CASE). It offers a reliable workflow and accurate results for de novo elucidation of complex organic compound structures.

  Use Structure Elucidator Suite to:

  • Determine structures using NMR and other analytical data
  • Generate all the candidate structures that fit your NMR and MS data
  • Rank the generated structures and identify the most probable one
  • Determine 3D configuration from a 2D structure using NOESY/ROESY data
  • Dereplicate previously identified compounds
  • Search fragment databases or manually define fragments for partially known structures
  • Report the final structure and add SDFiles to the prediction databases
• Deformulate And Identify MS Components

  6/11/2026

  Gain insight into how faster structural elucidation is possible with integrated mass spectrometry workflows that combine intelligent data analysis, spectral matching, and automation.

• Predict And Assign Fragment Ions

  6/11/2026

  Model MS fragmentation pathways and align predictions with experimental data to assign fragment ions faster. Streamline spectral interpretation and confirm compound identities with greater confidence.

• Robust Methods With Fewer Injections

  6/11/2026

  A smarter approach to method selection helps labs reduce guesswork and maintain consistent results. Learn how structured workflows and guided optimization can support confident decisions.

• Mass Spectrometry Software For Spectral Interpretation And Characterization

  6/11/2026

  One MS Software for All Your Mass Spectral Data Analysis and Management

  ACD/MS Workbook Suite is an all-in-one package for MS data handling.

  • Process MS, LC/MS, and GC/MS data acquired with instruments from any major vendor
  • Auto-annotate peaks and associate them with compound structures
  • Identify unknowns by deconvoluting spectra and searching databases for spectral matches
  • Create easily shareable and searchable spectral databases