Solutions we offer

ICM-VLS ( Virtual Ligand Screening) is MolSoft’s efficient virtual screening methodology in which ligands are fully and continuously flexible, some of the core functionalities include:

1. Ligand Docking – Batch
2. Covalent Docking
3. Structure-based VLS
4. Virtual Ligand Screening Physics/AI based scores
5. Ligand-based VLS (APF)
6. Fragment-based VLS
7. Dock on the fly Markush generated libraries
8. ICM 3D Interactive Editor
9. Atomic Property Fields (APF)
10. RIDE (CPU version)
11. Pharmacophore Searching
12. Includes all Functionalities of ICM Chemist – Pro

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ICM-Homology offers a methodology for conformational modeling of protein side chains and loops, implemented in ICM, relies on internal coordinate definition of the molecular object combined with computationally efficient ICM Biased Probability Monte Carlo

1. Sensitive sequence search for template identification.
2. Fast model building – the algorithm builds the model with all loops in seconds.
3. Loop prediction using a loop PDB database.
4. Loop prediction through local energy optimization.
5. Multi-template modeling.
6. Loop grafting.
7. Protein sculpting.
8. Peptide modeling.
9. Search the PDB for similar loop conformation.
10. Calculate relative residue frequency in similar loops from the PDB.
11. Prediction of Disulfide bonds.
12. Local reliability prediction and model validation features.
13. Model refinement using ICM global optimization.
14. Membrane protein modeling.
15. High-throughput homology modeling.

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Chemaxon’s Calculators and Predictors allow users to execute high quality physico-chemical calculations and predictions.

1. Physicochemical Property Calculations
2. LogP / LogD Prediction
3. pKa & Protonation State Estimation
4. Solubility Prediction
5. ADMET Risk Prediction (e.g., hERG)
6. Elemental Analysis & Mass Calculation
7. Polar Surface Area (PSA)
8. Structural Descriptors
9. Tautomer & Microspecies Distribution
10. Applicability Domain & Confidence Metrics
11. API & Command-line Integration

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RIDE is a fast 3D molecular similarity search method based on Atomic Property Fields. RIDE searches databases of compound conformers for molecules that are isosteric to the query

1. Can screen 1.5Million conformers/sec/GPU
2. GPU-Accelerated 3D Similarity Search
3. Bioisosteric Replacement Engine
4. Rapid Lead Optimization Assistance
5. Scaffold Hopping at Scale
6. Flexible Conformer Matching
7. High-Throughput Virtual Replacement
8. Structure-Aware Chemical Space Exploration
9. Integrates with ICM Design Workflows
10. Supports Large Compound Libraries
11. Fast Performance via Parallel GPU Compute

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Below are concise feature bullets for RIDGE (Rapid Docking GPU Engine):

1. GPU-accelerated structure-based docking
2. Ultra-fast virtual ligand screening (~100 compounds/sec on RTX GPUs)
3. ~1000× speed of a single CPU core
4. Screens 10 Million compounds on a desktop GPU in a day
5. Supports multiple GPUs for parallel jobs
6. Compatible with existing ICM docking projects
7. Uses highly-compressed conformer libraries
8. Neural-network scoring (RTCNN)
9. Option to apply physics-based docking scores
10. Minimal setup from standard ICM dock projects
11. Efficient for ultra-large library screening
12. Works on Linux and Windows platforms

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The GigaScreen method combines machine learning and deep learning tools to tackle the computational intensity of screening very large chemical databases. Key features include:

1. Ultra-large library screening framework
2. Deep learning-guided hit prioritization
3. Combines ML models with GPU docking
4. Uses RIDGE GPU acceleration for speed
5. Screens billions of virtual compounds
6. Iterative model training and scoring
7. Reduces compute costs and data volume
8. Adjustable score thresholds for filtering
9. Automated batch processing workflows
10. Scales on single workstation or GPU cluster
11. Hybrid physics + AI scoring strategies
12. Active learning loop for model refinement
13. Efficient candidate selection from giga-sized libraries
14. Supports custom filtering rules and constraints
15. Integrates with existing ICM workflows
16. Includes trillions of pre-prepared libraries from multiple vendors

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CombiRIDGE is a new innovative GPU-accelerated solution for high-throughput ligand docking and screening which leverages MolSoft’s generative neural network conformer enumeration method GINGER, ultra-fast GPU docking technology RIDGE and advanced graph neural network scoring ( RTCNN ). The approach allows you to optimize specific R-groups and screen vast ultra-large or combinatorial libraries efficiently.

1. Reaction-based combinatorial library generation
2. Synthesizable compound design
3. Applies known chemical transformation rules
4. Generates diverse, focused libraries
5. Preserves synthetic feasibility
6. Customizable reaction templates
7. Flexible scaffold and building block selection
8. Supports enumerations with stereochemistry
9. Integrates with ICM design workflows
10. Enables rapid ideation of analog series
11. Automated combinatorial enumeration
12. Structural filtering and property constraints
13. Facilitates hit expansion strategies
14. High-throughput library creation
15. Supports custom compound rules
16. Enhances medicinal chemistry productivity
17. Efficiently explores chemical neighborhoods

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V-SYNTHES is a hierarchical synthon-based virtual screening platform that enables efficient exploration of ultra-large, synthetically accessible chemical libraries using flexible ICM docking.

1. Hierarchical synthon-based virtual screening strategy
2. Efficient navigation of ultra-large make-on-demand libraries
3. Screens tens of billions of compounds
4. Uses ICM docking for flexible, accurate scoring
5. Fragment-based initial screening and enumeration
6. Minimal Enumeration Library (MEL) generation
7. Iterative docking and hit refinement
8. 4D flexible-receptor representation support
9. Accelerated docking via hierarchical protocol
10. Applicable to gigascale chemical spaces
11. Prioritizes synthetically accessible candidates
12. Scales on desktop or cluster environments
13. Integrates with ICM-Pro and VLS workflows
14. Supports complex target classes like GPCRs and kinases

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RIDE is a fast 3D molecular similarity search method based on Atomic Property Fields. RIDE searches databases of compound conformers for molecules that are isosteric to the query

1. Can screen 1.5Million conformers/sec/GPU
2. GPU-Accelerated 3D Similarity Search
3. Bioisosteric Replacement Engine
4. Rapid Lead Optimization Assistance
5. Scaffold Hopping at Scale
6. Flexible Conformer Matching
7. High-Throughput Virtual Replacement
8. Structure-Aware Chemical Space Exploration
9. Integrates with ICM Design Workflows
10. Supports Large Compound Libraries
11. Fast Performance via Parallel GPU Compute

To know more click here.

1. GPU-accelerated conformer generation
2. Neural network-based internal coordinate model
3. Rapid production of diverse, low-energy 3D conformers
4. Highly scalable for very large libraries
5. Generates high-quality conformers with energy refinement
6. Efficiently handles millions of compounds per day
7. Produces smaller, high-accuracy conformer sets
8. Ideal for 3D workflows (screening, docking, similarity)
9. Integrates with ICM-Pro, RIDE, and RIDGE
   Memory-efficient and robust conformer processing

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Ligand AIDE is a de novo ligand generation workflow based on Artificial Intelligent Design Evolution. It uses an iterative evolutionary strategy to grow and optimize ligands directly in the context of a protein binding site.

1. AI-driven de novo ligand generation workflow
2. Iterative evolutionary design directly in a protein binding site
3. Begins from docked fragment population and grows ligands
4. Uses groupGen neural network for R-group addition and replacement
5. Atom-level substitution via neural atom predictor
6. Re-docks new designs each generation for optimized fit
7. Multi-objective selection using AI score, docking score, and drug-like filters
8. Synthesizability criteria enforce practical chemical designs
9. Typically uses multiple evolutionary cycles (e.g., 3-5)
10. Efficient exploration of chemical space with binding quality focus
11. Integrates with docking workflows for automated design refinement

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MolScreen is a set of high quality 2D fingerprint and 3D pharmacophore models for a broad range of pharmacology and toxicology targets. 

1. Panel of >2,500 high-quality 2D & 3D AI/ML models for pharmacology & toxicity targets
2. Models cover ~1,200 distinct targets
3. Includes 2D fingerprint ML classifiers & regressors
4. 3D Atomic Property Field (APF) pharmacophore models
5. ADMET prediction models (e.g., CYP, hERG, half-life)
6. Supports lead identification & profiling workflows
7. Useful for target identification & drug repurposing
8. Fast scoring with validated performance metrics (e.g., high AUCs for key model types)
9. Works with ICM-Pro + VLS screening automation
10. Enables multi-target vs. multi-compound profiling
11. Models can be run directly or via batch jobs in ICM GUI/CLI
12. Includes classification & regression scoring outputs
13. Adaptable for lead optimization and SAR analysis

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Trusted data, technology and expertise to support chemistry research

1. Expert-curated chemistry database integrating reactions, substances, properties, and literature.
2. Contains data from ≈125 million documents from 18,000 journals
3. Includes ~49 million patent documents from 105 patent offices
4. Contains ~353 million chemical substances and ~500 million associated properties.
5. Includes ~51 million bioactivity data points linked to ~43,000 biological targets.
6. Powerful structure, substructure, and multi-field search capabilities.
7. Supports synthesis planning, AI-driven retrosynthesis, and experiment design insights.
8. Weekly data updates and API access for integration into workflows.
9. Covers historical and modern authoritative chemical information back to the 18th century.
10. Weekly data updates to keep substance, reaction, and property records current.
11. Powerful structure, substructure, and multi-field search capabilities.
12. Supports synthesis planning, retrosynthesis insights, and experimental design.

To know more click here.

Trusted data, technology and expertise to support chemistry research

1. Expert-curated chemistry database integrating reactions, substances, properties, and literature.
2. Contains data from ≈125 million documents from 18,000 journals
3. Includes ~49 million patent documents from 105 patent offices
4. Contains ~353 million chemical substances and ~500 million associated properties.
5. Includes ~51 million bioactivity data points linked to ~43,000 biological targets.
6. Powerful structure, substructure, and multi-field search capabilities.
7. Supports synthesis planning, AI-driven retrosynthesis, and experiment design insights.
8. Weekly data updates and API access for integration into workflows.
9. Covers historical and modern authoritative chemical information back to the 18th century.
10. Weekly data updates to keep substance, reaction, and property records current.
11. Powerful structure, substructure, and multi-field search capabilities.
12. Supports synthesis planning, retrosynthesis insights, and experimental design.

To know more click here.

EmBiology uncovers millions of biological relationships to help you better understand disease biology. Get targeted data using relation and concept filters.

1. AI-curated biological knowledge graph linking genes, proteins, diseases, pathways, cells, tissues, and processes.
2. Contains structured cause-and-effect relationships extracted from millions of scientific articles.
3. Integrates semantic biological associations rather than simple co-mentions.
4. Supports multi-entity query exploration (e.g., gene sets, disease lists).
5. Visual network and pathway views for interactive relationship mapping.
6. Advanced filtering by relationship type, organism, evidence strength, and publication date.
7. Enables identification of upstream regulators and downstream effects for mechanistic insight.
8. Facilitates target identification & prioritization with contextual evidence scoring.
9. Supports biomarker discovery through biologically relevant associations.
10. Provides evidence scoring and provenance tracking to link relationships back to source literature.
11. Regular updates to ensure current biological knowledge and ongoing curation.
12. API and export support for integration into bioinformatics and data science workflows.
13. Designed to accelerate translational research and systems biology interpretation.
14. Enables exploration of disease mechanisms, signaling pathways, and regulatory networks.

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ICM-Pro is MolSoft’s primary desktop modeling software offering most of the core functionalities like:

1. ~40+ million biomedical records from 1947–present
2. Daily updates with newly published literature
3. 8,500 peer-reviewed journals indexed globally
4. Extensive conference abstract coverage
5. ~2,900+ journals unique to Embase (not in MEDLINE)
6. EMtree controlled vocabulary with 90,000+ terms
7. Deep drug, disease, and medical device indexing
8. Advanced Boolean, proximity, and field-specific search
9. PICO search builder and query translation tools
10. Strong pharmacovigilance & adverse event coverage
11. Medical device surveillance and regulatory insights
12. Alerts, saved searches, and export tools
13. API and data delivery options for integration
14. Supports systematic reviews, HEOR, regulatory & clinical research

To know more click here.

PharmaPendium supports drug safety and efficacy decisions for better drug outcomes.

1. Full-text FDA & EMA regulatory documents
2. Extracted safety, PK, metabolism & efficacy data
3. Millions of curated regulatory pages
4. Integrated FAERS real-world adverse event data
5. MedDRA-coded safety terminology
6. Drug benchmarking vs approved/withdrawn compounds
7. Drug–Drug Interaction Risk Calculator
8. Safety Margin & toxicity assessment tools
9. Natural language AI search (PharmaPendium AI)
10. Regulatory data visualizations & analytics
11. Supports safety, translational & regulatory research
12. API access & structured data export

To know more click here.

MolCart Compound Database is an up-to-date collection of vendor compound databases. This database is divided into two collections:

• • Screening Compounds for cherry picking.
  • Building blocks for combinatorial chemistry

To know more click here.

The new Marvin is a universal chemical editor that serves the needs of any chemist involved in research and drug discovery.

1. Advanced chemical structure drawing and editing
2. Intuitive 2D/3D molecule sketcher
3. Multi-platform support: web, desktop, mobile
4. Accurate structure clean-up and standardization
5. Reaction drawing and editing tools
6. Stereochemistry handling and annotation
7. Structure templates and fragment libraries
8. Smart chemical copy/paste & drag-and-drop support
9. Integration with IUPAC naming and property calculators
10. Export to common chemical formats (Mol, SMILES, InChI, etc.)
11. Chemical layout for publications and reports
12. Embeddable in other applications via API/SDK
13. Supports rapid drawing workflows for chemists and researchers

To know more click here.

MarvinSketch is a fully featured chemical drawing tool built to serve any chemist’s needs running on their local computers. Marvin JS is a simplified chemical editor built to add chemical features to web applications. Both first generation software are still supported.

The next generation Marvin is a web-based application that gives you the full feature set necessary in chemical research and the flexibility to integrate with your tools. This makes Marvin the only chemical drawing tool you will ever need.

Instant JChem is a robust desktop tool to create, manage, analyze, and search chemical structures and related non-chemical data in simple or relational databases in a user-friendly way.

• Chemical Database Management – Create, manage, and query chemical databases without extensive programming.
• Structure-Based Searching – Perform exact, substructure, similarity, and structure-based searches.
• Chemical Structure Editing – Draw and edit molecules using the integrated Marvin chemical editor.
• Chemical Data Visualization – Display structures, properties, biological data, and other chemical information in customizable views.
• Advanced Querying – Combine chemical structure searches with text, numeric, and other database fields.
• Data Import & Export – Work with common chemical and tabular data formats for easy data exchange.
• Multi-User Collaboration – Enable teams to access, manage, and share chemical information in a centralized environment.
• Database Connectivity – Connect to and work with existing relational databases and enterprise chemical data systems.
• Reporting & Data Analysis – Generate customized views and reports from chemical and associated experimental data.
• Scalable Chemical Informatics – Suitable for academic research groups as well as industrial R&D environments.

To know more visit the product documentation page here.

JChem for Office is the plugin for Microsoft Office applications that imparts chemical knowledge to office documents, allowing users to draw, edit, and analyze chemical structures in a known interface.

• Chemical Intelligence in Microsoft Office – Work with chemical structures directly in Word, Excel, and PowerPoint.
• Structure Drawing & Editing – Create and modify chemical structures using the integrated Marvin editor.
• Chemical Structure Recognition – Recognize chemical names and structures within Office documents.
• Structure-to-Name Conversion – Generate chemical names directly from molecular structures.
• Property Calculation – Calculate molecular formula, molecular weight, and key chemical properties.
• Excel Integration – Manage chemical structures alongside compound IDs, experimental data, and calculated properties.
• Structure Searching – Perform chemical structure-based searches directly within Office workflows.
• Easy Chemical Data Sharing – Insert, format, and present publication-quality chemical structures in reports, spreadsheets, and presentations.

To know more please visit the documentation page here.

The JChem Engines offer chemical data management, storage, and intricate chemical search technologies on various database engines for diverse chemical file types including reactions and markush structures.

• Chemical Structure Search – Supports exact, substructure, similarity, superstructure, and advanced chemical queries.
• Chemical Database Integration – Adds chemistry-aware searching and processing capabilities to enterprise databases and applications like Oracle, PostgreSQL, MySQL and other standard databases.
• Structure Standardization – Standardizes, validates, and normalizes chemical structures for consistent data handling.
• Chemical Property Calculations – Calculates molecular properties, descriptors, and other chemistry-related parameters.
• Structure & Format Conversion – Converts chemical structures between a wide range of commonly used file formats.
• Chemical Structure Handling – Supports storage, indexing, retrieval, and manipulation of molecules and chemical information.
• Developer APIs & Integration – Provides APIs and components for embedding Chemaxon chemistry functionality into custom applications and workflows.
• Scalable Chemical Informatics – Designed for efficient processing and searching of large chemical datasets in research and enterprise environments.

To know more please visit the product page here.

Plexus Connect provides a web-based solution for management, analysis, searching, and display of scientific data empowered by various Chemaxon technologies at the backend.

• Chemical Data Integration – Connect and integrate chemical information from multiple databases and data sources.
• Unified Data Access – Provide researchers with a centralized interface to access distributed chemical data.
• Chemical Structure Searching – Enable structure-based searching across connected chemical datasets.
• Data Standardization – Harmonize chemical structures and associated data for consistent analysis.
• Enterprise Connectivity – Connect chemical databases, applications, and R&D systems across an organization.
• Workflow Integration – Facilitate seamless movement of chemical information between different research tools and platforms.
• Scalable Architecture – Designed to support growing chemical datasets and enterprise-scale research environments.
• Improved Research Productivity – Reduce data silos and simplify access to chemical information across R&D workflows.

To know more visit the product documentation page here.

Compound registration uses configurable business logic to normalize, validate and quality check compounds and decide the uniqueness of the new molecules before registering them.

• Centralized Compound Registration – Register, manage, and track compounds in a single, structured repository.
• Unique Compound Identification – Automatically assign unique IDs to registered compounds and samples.
• Chemical Structure Validation – Validate structures and ensure consistent chemical representations during registration.
• Duplicate Detection – Identify duplicate or previously registered compounds using structure-based searching.
• Chemical Structure Standardization – Normalize and standardize structures for reliable data management.
• Flexible Metadata Management – Capture compound properties, project information, batch details, and other relevant metadata.
• Advanced Chemical Searching – Search registered compounds using exact, substructure, similarity, and other chemical queries.
• Integration with R&D Workflows – Connect compound registration with chemical databases, ELNs, LIMS, and other research systems.

For more details please visit the product page here.

The Giga-Search methods add fingerprint bit statistics to the MolCart search engine which allows an extremely fast and efficient way of filtering out molecules based on the input chemical pattern.

• Ultra-Large Chemical Searching – Search billions to hundreds of billions of compounds in seconds.
• Fast Substructure Search – Perform rapid substructure searches across massive chemical spaces using SMILES/SMARTS queries.
• Similarity & Analog Searching – Identify structurally similar compounds and analogs across giga-scale libraries.
• SMILES & SMARTS Support – Define sophisticated chemical patterns using atom, bond, ring, charge, hybridization, and connectivity properties.
• Reduced Storage Requirements – GigaSearch v2.0 avoids full enumeration of massive chemical spaces, significantly reducing storage needs.
• Major Commercial Libraries – Access ultra-large spaces such as Enamine REAL and Chemspace Freedom Space for rapid chemical exploration.
• ICM Integration – Directly integrated with MolSoft ICM-Pro/ICM-Chemist workflows for seamless chemical searching and analysis.
• Scalable High-Performance Search – Optimized for multicore systems and designed for rapid exploration of massive chemical spaces.

To know more details please visit the product page here.

The Discovery toolkit is a collection of different bundle of products from Chemaxon and gives acces to Descriptor Generation Toolkit providing physiochemical properties, Structure Preparation Toolkit which helps in standardizing and checking structures, Structure Enumeration Toolkit which helps in library enumeration and the Naming toolkit which provides 2 way conversion from name to structure and vice versa.

To know more visit the product page here.

The Descriptor Generation Toolkit provides scientifically accurate molecular property predictions and a comprehensive set of molecular descriptors to support compound profiling and prioritization. It enables researchers to characterize molecules, assess key drug-discovery properties, and generate data for building predictive models.

• Comprehensive Molecular Descriptors – Generate 2D topological, 3D geometrical, molecular surface, and electronic structure descriptors.
• Physicochemical Property Prediction – Calculate key properties including logP, logD, solubility, pKa, and HLB for compound profiling.
• ADMET & Toxicity Prediction – Support early assessment of properties such as hERG inhibition, pharmacokinetics, and cardiotoxicity risk using machine-learning models.
• Structural Analysis – Generate hydrogen-bond donor/acceptor counts, molecular surfaces, conformers, 3D alignments, and other structural descriptors.
• Isomer & Ionization Analysis – Generate tautomers and stereoisomers, predict major microspecies, and calculate pKa and pH-dependent ionization profiles.
• NMR Prediction – Predict ¹H and ¹³C NMR spectra to support structure elucidation and experimental data interpretation.
• Programmatic Integration – Integrate descriptor generation and property calculations into existing workflows through Java, Python, .NET, and Microservices APIs.

For more details please visit the product page here.

The Structure Preparation Toolkit validates, standardizes, and curates chemical structures for reliable downstream use. It prepares high-quality compounds for registration, docking, screening, and accurate microspecies/isomer generation.

• Structure Standardization – Normalize chemical structures according to defined business rules for consistent database representation.
• Structure Validation & Checking – Detect and correct issues such as invalid valences, bond lengths, charges, stereochemistry, and other structural errors.
• Tautomer & Isomer Generation – Generate tautomers, stereoisomers, and resonance structures for accurate compound representation and searching.
• Protonation & Microspecies Prediction – Calculate pKa, identify major microspecies, and evaluate pH-dependent ionization profiles.
• Structure Curation – Remove unwanted fragments, counterions, and other inconsistencies while maintaining high-quality chemical data.
• Docking & Registration Preparation – Prepare clean, validated structures for compound registration, virtual screening, and molecular docking workflows.
• Programmatic Integration – Integrate structure preparation capabilities into existing workflows through Java, Python, .NET, and Microservices APIs.

To know more details please visit the product page here.

The Structure Enumeration Toolkit enables rapid generation of virtual and Markush libraries to explore chemical space around lead compounds. It supports reaction-based enumeration and molecular fingerprints for more comprehensive, science-driven compound design and selection.

• Virtual Library Enumeration – Generate large virtual compound libraries to systematically explore chemical space.
• Reaction-Based Enumeration – Apply user-defined reaction schemes to large reactant sets and generate chemically feasible product libraries.
• High-Performance Reactor – Rapidly enumerate synthesizable compounds at scale with flexible library-generation options.
• Markush Enumeration – Expand generic/Markush structures to explore broad combinatorial chemical spaces.
• Stereochemistry-Aware Enumeration – Account for stereochemical variations during virtual library generation.
• Chemical Fingerprints – Generate molecular fingerprints to support compound similarity analysis and chemical space exploration.
• Flexible & Programmatic Integration – Integrate enumeration workflows through Java, Python, .NET, and Microservices APIs.

For more details please visit the product page here.

The Naming Toolkit enables accurate two-way conversion between chemical names and structures, individually or at scale. It simplifies chemical data standardization, registration, and workflow integration across research environments.

• Name-to-Structure Conversion – Convert chemical and biochemical names into accurate molecular structures.
• Structure-to-Name Conversion – Generate IUPAC, systematic, and common names directly from chemical structures.
• Batch Processing – Convert names and structures individually or process large compound datasets in batches.
• Broad Chemical Coverage – Support naming and conversion for radicals, natural products, peptides, and complex chemical structures.
• Multiple Naming Standards – Work with IUPAC, systematic, common, and commercial drug names.
• Custom Dictionaries & Databases – Use customizable dictionaries, databases, or web services for corporate IDs and proprietary terminology.
• Programmatic Integration – Integrate naming capabilities into existing workflows through Java, Python, .NET, and Microservices APIs.

For more details please visit the product page here.

Compliance Checker helps researchers screen chemical compounds against continuously updated controlled-substance regulations across countries. It simplifies compliance from synthesis and storage to handling and shipping.

• Controlled Substance Screening – Identify regulated substances across individual compounds or large chemical collections.
• Up-to-Date Regulatory Coverage – Continuously updated regulatory knowledge covering multiple countries and international regulations.
• New Molecule Compliance Checks – Assess compounds before procurement, synthesis, storage, or transportation.
• Similarity-Based Regulation Checks – Identify compounds structurally similar to controlled substances using advanced fingerprint and functional-group analysis.
• Global Shipping Compliance – Check country-specific requirements for shipping controlled substances.
• Generic & Markush Definitions – Detect compounds covered by broad regulatory definitions using Markush and homology-based searches.
• Customizable Regulatory Rules – Add internal corporate policies and proprietary controlled-substance definitions to the knowledge base.

For more details please visit the product page here.

cHemTS automates the assignment of HS/HTS codes to chemical compounds directly from their structures. It delivers fast, accurate classifications, reducing manual effort and trade-compliance errors.

• Automated HS/HTS Classification – Assign Harmonized System (HS) and Harmonized Tariff Schedule (HTS) codes directly from chemical structures.
• High Classification Accuracy – Provides over 99% accuracy for supported chemical classifications.
• Multi-Country Coverage – Supports chemical classification requirements across major international markets, including India, EU, US, UK, Japan, China, Canada, Australia, and Switzerland.
• Drug & Regulatory Identification – Identifies drugs based on active ingredients and highlights relevant FDA and DEA flags.
• Organic Salt & Mixture Differentiation – Distinguishes organic salts and mixtures to enable appropriate Chapter 29 or Chapter 38 classification.
• Import & Export Support – Provides country-specific import/export codes and supports international trade classification workflows.
• Tax & Trade Optimization – Identifies potential tax-free import options by referencing applicable country-specific pharmaceutical agreements.

For more details please visit the product page here.