JChem API documentation (c) 1998-2026 Chemaxon
Packages
Package
Description
Provides algorithms and tools to align molecules onto each other in 2D and 3D.
Provides various chemical calculations and property predictions.
Provides ADMET property predictions including hERG activity and classification predictors.
Provides general API for chemical property calculators.
Provides BBB score calculator.
Provides CNS MPO score calculator.
Provides molecular dipole moment calculation functionality.
Provides classes for elemental analysis of molecules.
Provides GUI components for displaying and configuring calculator plugins in MarvinSketch.
Provides NMR (Nuclear Magnetic Resonance) chemical shift prediction calculations.
Provides classes for formatting the output of chemical calculations for CLI usage.
Provides API and support for accessing remote services.
Provides aqueous solubility prediction and categorization for molecules.
Provides calculators for stereo analysis and stereoisomer enumeration.
Provides stereocenter implementations of Stereo Analysis API.
Provides structure checkers, which can be used to identify drawing mistakes or special structural elements
in chemical structures.
Provides classes that represent the results of various structure checkers.
Provides Chemical Terms Evaluator classes.
Provides molecular clustering algorithms.
Provides common components of clustering related APIs.
Provides hierarchic structural framework based clustering.
Provides Library MCS clustering.
Provides clustering related utilities.
Provides annotations for Chemaxon classes.
Provides version information of Chemaxon products.
Provides essential calculations for molecular structures.
Provides 2D and 3D structure cleaning algorithms for coordinate generation and optimization.
Provides common descriptor and calculator classes for stereochemistry.
Provides utility classes related to core chemistry.
Provides molecular descriptor generators and QSAR modeling.
Provides classes for pharmacophore point perception, pharmacophore fingerprint generation
and dissimilarity calculation.
Provides scalar molecular descriptors (e.g., hydrogen bond donor and acceptor counts).
Provides structure fixers, which can be used to fix problems identified by structure checkers.
Provides utility classes for importing and exporting molecular structures,
and for converting between various molecule file formats.
Provides the command-line molecule format conversion utility.
Provides classes for database operations.
Provides database related constants.
Provides database related exceptions.
Provides classes for virtual screening using Molecular Descriptors.
Provides various utility classes.
Provides version information of JChem products.
Provides the API for the built-in license checking of Chemaxon products and tools.
Provides bean classes for creating Marvin Classic user interface.
Provides common classes for Marvin Classic tools.
Provides the clipboard handler infrastructure in Marvin.
Provides utility classes for Marvin GUI.
Provides classes for Name to Structure (N2S) and Structure to Name (S2N) conversion.
Provides Document to Structure (D2S) conversion and document annotation.
Provides JChem for Excel integration for reading and writing molecules in Excel spreadsheets.
Provides JChem for Office integration for processing molecules in Microsoft Office documents.
Provides classes for reaction processing and enumeration.
Provides reaction mapping algorithms for automatic atom-atom mapping of reactants to products.
Provides constants for molecule rendering styles and options.
Provides chemical structure searching.
Provides the public API for chemical structure searching.
Provides configuration options for structure search behavior.
Provides utilities for displaying and highlighting search hits in molecular structures.
Provides classes for finding the maximum common substructure (MCS) of molecular structures.
Provides utility classes for structure search.
Provides the main classes of the Standardizer tool.
Provides Standardizer actions.
Provides classes for handling configurations of Standardizer.
Provides classes for implementing and manipulating chemical structures.
Provides classes representing graphics
MDocument elements.Provides utility classes that represent molecular properties and handle data conversion.
Provides classes and interfaces related to structural groups (S-groups) of molecules.
Provides the main classes of the Structure Checker tool.
Provides classes for handling configurations of Structure Checker.