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Intuitive operation allows for the drawing of structures, reactions, and queries! Supports various structure data formats.

【Other Features】 ■ Equipped with a rich set of property calculation plug-in modules called "Calculator Plugins," allowing for graphical display of property calculation results such as pKa. ・ For example, it can read and write files such as MOL, SDF, RDF, RXN, SMILES, SMARTS, InChI, Mol2, Sybyl, CML, Gaussian Cube, PDB, XYZ, GZIPpend, and Peptide Sequence. *For more details, please refer to the related links or feel free to contact us.

Add chemical functionality to Microsoft Office products! A powerful and lightweight chemistry add-in.

**Features** - Handling of live chemical structures (drawing, copy & paste, searching, filtering, etc.) - Importing and exporting chemical structure files such as SD files (supported formats: sdf, rdf, IUPAC name, smiles, mrv) - Property calculations referencing structure cells (Calculator Plugins option) - Creation of R-group tables and SAR tables - Visualizing data using built-in graph insertion and heat map creation features in EXCEL - Integration with other products *For more details, please refer to the related links or feel free to contact us.*

Ensure and simplify the verification of global chemical regulations! Instantly check global drug regulations from structural formulas.

●Support Regulations 【International Treaties, etc.】 International treaties (Chemical Weapons Convention, Montreal Protocol, Rotterdam Convention (PIC Convention), etc.), United Nations, European Union 【Europe】 United Kingdom, Ireland, Italy, Austria, Netherlands, Switzerland, Sweden, Spain, Denmark, Germany, France, Belgium 【North America】 United States, Canada 【Asia】 Singapore, India, China, Japan ●Interface ・Web GUI ・REST API ●Usage Types ・On-premises, Cloud (SaaS) *For more details, please refer to the PDF document or feel free to contact us.

Supports high-speed and advanced structure/reaction searches! Desktop chemical database compatible with Mac, Windows, and Linux.

【Viz addon Features】 ■ Various graph displays and integration with Spotfire (optional) - Histogram widget: Displays histograms - Scatter plot widget: Displays scatter plots - Radar chart widget: Displays radar charts - Box plot widget: Displays box plots - Conditional formatting (cell coloring based on values) - Spotfire integration: Integration with Spotfire using OData *For more details, please refer to the related links or feel free to contact us.

Instantly identify the "HS code" for chemical substances in export and import statistics from their name and structural formula. We are currently offering materials that clearly introduce the benefits.

【How to Use】 ■ Single Check - Draw the structural formula for each item and check the HS code. ■ File Check - Upload the SDF for which you want to confirm the HS code and check the HS code. ■ REST Webservice - Check the HS code via the REST API, allowing integration with internal systems such as ERP. *For more details, please refer to the PDF document or feel free to contact us.

Efficient evaluation of physicochemical properties and molecular descriptors related to pharmacology! Property calculation plugin.

【Lineup】 ■ADMET Plugin (hERG Inhibition Prediction) ■Protonation Plugin (pKa Prediction) ■Partitioning Plugin (LogP, LogD Prediction) ■Solubility Plugin (Solubility Prediction) ■NMR Predictor Plugin (NMR Spectrum Prediction) ■Isomers Plugin (Isomer Generation) ■Structural Calculations Plugin ■Elemental Analysis *For more details, please refer to the PDF document or feel free to contact us.

Design HUB is a groundbreaking information platform that integrates hypothesis-driven and data-driven approaches to streamline the DMTA cycle in drug discovery.

【Other Features】 <Integration of External Resources> ■ Customizable plugins based on JavaScript and a wealth of templates ■ Data integration with any service via REST, SQL, or CLI methods <Management of Ideas and Projects> ■ Organize and manage original data and discussion content by hypothesis ■ Save data used for analysis during the structural optimization phase as a design set ■ Visualize who is responsible for what and the progress status using a Kanban board *For more details, please refer to the PDF document or feel free to contact us.

Calculate the pKa of ionizable groups! It can also be used for proteins and others.

**Features** ■pKa - Many molecules have specific functional groups that can gain or lose hydrogen depending on the environment. - There is no upper limit to the number of ionizable atoms in a molecule, and it can also be applied to proteins and others. ■Microspecies - Identifies the major protonation form at a specific pH. ■Isoelectric point - Calculates the pH at which the overall charge of the compound after ionization is 0 (isoelectric point). - Can display the overall charge distribution of the molecule depending on the pH. *For more details, please refer to the PDF document or feel free to contact us.*

Predictions will be made based on the improved methods of Viswanadhan for both logP and logD!

【Usage Types】 ■ As a plugin for Marvin Sketch ■ As a cxcalc command-line tool ■ As a feature of Chemical Terms ■ Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.

A highly reliable hERG inhibition prediction tool that eliminates cardiotoxicity risks early in drug development!

For more details, please refer to the PDF document or feel free to contact us.

Generation of tautomeric forms, stereoisomers, and resonance structures! Essential for application to virtual screening.

**Features** ■ Stereoisomer Plugin - Calculates all stereoisomers - Handles both tetrahedral and double bonds with stereocenters - During enumeration, energetically impossible conformations are removed ■ Tautomer Plugin - Generates tautomers and allows selection of structures suitable for subsequent processing ■ Resonance - Non-bonding electron pairs, radical electrons, or formal charges of certain atoms in the molecule are movable - Generates all resonance structures including stable resonance structures *For more details, please refer to the PDF document or feel free to contact us.*

High-precision solubility prediction tools are extremely important in the early stages of development!

【Usage Types】 ■ As a plugin for Marvin Sketch ■ As the cxcalc command line tool ■ As a feature of Chemical Terms ■ Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.

Predicting 1H and 13C NMR spectra of organic compounds!

【Usage Types】 ■ As a plugin for Marvin Sketch ■ As a cxcalc command-line tool ■ As a feature of Chemical Terms ■ Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.*

We have a lineup that allows for the calculation of partial charge, polarization rate, and electronegativity!

【Other Features】 ■Charge Plugin ・Polarizability plugin: Calculation of polarizability ・Orbital electronegativity plugin: Calculation of electronegativity ■Conformation Plugin ・3D Alignment plugin: Superimposition of molecules ・Molecular dynamics plugin: Molecular dynamics calculations ■Geometry Plugin ・Topology Analysis Plugin: Topology analysis ・Polar Surface Area Plugin: Calculation of polar surface area 【Usage】 ■As a plugin for Marvin Sketch ■As a cxcalc command line tool ■As a feature of Chemical Terms ■Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.

Available with Marvin license! Calculates and displays values related to the elemental composition of molecules.

【Values for Calculation and Display】 ■Isotope formula: chemical formula of the molecule listing isotopes separately ■Dot-disconnected formula: chemical formula of the molecule separating fragment formulas by dots. ■Composition: elemental composition (w/w %) ■Isotope composition: elemental composition listing isotopes separately (w/w %) ■Atom count: number of atoms in the molecule. 【Usage Forms】 ■As a plugin for Marvin Sketch ■As a cxcalc command line tool ■As a feature of Chemical Terms ■Various APIs such as Java, .NET, Microservice, etc. *For more details, please refer to the PDF document or feel free to contact us.*

Enhancing object-relational database management systems with chemical intelligence.

【Lineup】 ■JChem Suite ■JChem Base Technology ■JChem Microservices ■JChem Oracle Cartridge ■JChem PostgreSQL Cartridge ■JChem Choral ■JChem Neo4j Cartridge *For more details, please refer to the PDF document or feel free to contact us.

Supports high-speed and advanced structure/reaction searches! Also provides front-end functionality.

【Features of the Viz addon】 ■Histogram widget: Display of histograms ■Scatter plot widget: Display of scatter plots ■Radar chart widget: Display of radar charts ■Box plot widget: Display of box plots ■Conditional formatting (cell coloring based on values) ■Spotfire integration: Integration with Spotfire using OData *For more details, please refer to the PDF document or feel free to contact us.

Introducing a compound registration application for formulations, mixtures, and polymers!

【Hierarchical Compound Storage】 ■ Parent: A neutral form of a chemical structure that does not contain isotopes, charges, counterions, or salts/solvates. ■ Version: Molecules that contain isotopes, counterions, or salts/solvates (neutral or charged). ■ Lot: The occurrence of compounds within a company, usually a physical sample. *For more details, please refer to the PDF document or feel free to contact us.

A scientific information platform that enables browsing through a simple and intuitive user interface.

【Other Features】 <Plexus Connect Charts - Interactive Charts> ■ Use freehand or rectangular selection on scatter plots to discover relationships between datasets and properties ■ Selected data points are synchronized across all charts ■ Linear and nonlinear curve fitting options are also available ■ Easily visualize data distribution and more by adding histograms, bar graphs, and cumulative curves ■ Selection of data points is synchronized between charts and tables, allowing you to visually specify records of interest from the chart ■ Any chart in the workspace can be exported as a vector format image file (svg format) for use in presentations and more *For more details, please refer to the related links or feel free to contact us.

Draw with your favorite chemistry editor! Smooth collaboration between users of different chemistry editors.

Available Office Versions ■Office 2016 ■Office 2019 ■Office 365 Desktop *Both 32-bit and 64-bit versions of Office are supported. *For more details, please refer to the related links or feel free to contact us.

Accessible from various clients! Supports fast and advanced structure/reaction searches.

Available Creators ■ SMARTS Support ■ Atom List, Not List, Super Atom ■ Charge, Isotope, Radical ■ Hydrogen Count, Aromatic/Aliphatic Atoms ■ Ring Size, Connectivity, Bond Type, Ring/Chain ■ R Group ■ Stereochemistry *For more details, please refer to the related links or feel free to contact us.*

Achieve high-performance chemical structure and reaction searches in Oracle's native environment!

【Other Features】 ■ Operates in parallel with other JChem Base applications, allowing multiple applications and data to share tables in the chemical database created within ORACLE by JChem Cartridge. ■ Developed to access JChem's capabilities quickly and seamlessly using ORACLE native SQL language. *For more details, please refer to the related links or feel free to contact us.

Adding chemical intelligence to PostgreSQL! A powerful database solution.

【Supported Search Types】 ■ Partial Structure ■ Full Fragment ■ Duplicates ■ Superstructure ■ Similarity Search using the Yanamoto Metrics *For more details, please refer to the related links or feel free to contact us.

Solving the problem of diversity in structural notation! We will standardize structural notation to make it easier to handle.

【Conversion Functions】 ■ Aromatization/De-aromatization ■ Handling of hydrogen atom notation (display/omit/hydrogens indicating stereochemistry are not omitted) ■ Conversion of mesomers (nitro, azide, etc.) ■ Conversion of tautomers (oxo-enol, enamine-iminine, etc.) ■ Cleaning based on templates ■ Removal of grouping ■ Removal of salts and solvents (size, list) ■ Batch processing capabilities ■ Support for user-defined standardization rules *For more details, please refer to the related links or feel free to contact us.

Error detection and repair of molecular structures! Automatic corrections address various issues.

【Error Check Examples】 ■Aromaticity ■Chiral flag ■Coordination system ■Ring strain ■Reaction map ■Valence ■Wedge *For more details, please refer to the related links or feel free to contact us.

Combine various conditions under which reactions occur! Create a synthesizable virtual library.

【Other Features】 ■ Provides a generic reaction as a library ■ The reaction library offered by ChemAxon not only constructs reactions from generic structures (reactants, products) but also combines various conditions under which the reactions occur ■ Through a unique approach, the virtual library generated by this product has a higher likelihood of being synthetically feasible ■ Various physicochemical parameters of compounds can be combined and used for searches and condition settings utilizing Chemical Terms *For more details, please refer to the related links or feel free to contact us.

Generate IUPAC names and common names from structural formulas! Available through custom programs via API.

For more details, please refer to the related links or feel free to contact us.

Generate structural formulas from IUPAC names, CAS numbers, and common names! Automation of text mining is possible.

【Other Features】 ■ Multiple methods for batch conversion from names to structural formulas ■ Instant JChem, JChem for Excel, MarvinView ・ Automatically recognizes structures when importing a text file with names ・ Can read structures in the same way as importing from SD files ■ Workflow tools like Pipeline Pilot and Knime ・ Conversion tools implemented as one of the components ・ Name to structure conversion possible from command line tools like Molconvert and cxcalc ・ Conversion functionality can be integrated into custom applications using APIs *For more details, please refer to the related links or feel free to contact us.

Demonstrates exceptional power in patent document analysis! Easily extract chemical information from documents!

【Recognizing Chemical Information】 ■Chemical names (IUPAC names, systematic names, common names, trade names, etc.) ■CAS number, company compound ID ■Linear representations (SMILES, SMARTS, InChi) ■Embedded structural formula objects ■Structural formula images (linked with external tools) ■Non-characterized PDF (image documents) *For more details, please refer to the related links or feel free to contact us.

Implemented the import function for DARC format! Instantly search the chemical space of the Markush structure.

【Other Features】 <Markush Enumeration> ■ Can generate individual structures from Markush structures and count the number of individual structures. <Markush Viewer> ■ Imports Markush structures and displays them in a visually accessible manner. ■ The skeleton of the Markush structure and all R groups are displayed in a hierarchical list format. ■ Users can specify different substituents for each R group by clicking on them to display. *For more details, please refer to the related links or feel free to contact us.

Integrating ChemAxon functions into KNIME! A user-friendly graphical workbench for the entire analysis process.

Utilization of ChemAxon tools with this product ■ Create user-specific applications ■ Easily dock tools from different vendors *For more details, please refer to the related links or feel free to contact us.*