Fast and accurate structure-based and ligand-based virtual screening are essential nowadays with the exponential increase in the number of chemical structures available. These tools help users to shortlist the best molecules for the project.
ICM-Pro is a desktop tool empowering biologists or chemists by providing a high-quality protein structure analysis, modeling, and docking (including protein-protein docking)
Know More…
Structure-Based Virtual Ligand Screening offers features like fast and accurate flexible-ligand docking, scoring procedure, screening large chemical datasets, dock on-the-fly markush generated libraries, etc
Know More…
Screen is a robust platform to perform chemical similarity searches on large molecular databases. It offers a fast process with up to 100,000 compounds per second being screened on a single desktop PC.
Know More…
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.
Know More…
Documents like journal articles, patents, internal reports hold an immense amount of chemical knowledge which do not get utilized as they are in an unstructured format and not searchable easily. The following tools help users to deal with Chemistry in documents:
The Naming engine can convert chemical structures into names and vice-versa. It supports conversion from IUPAC names, common names, traditional names, and CASⓇ Registry Numbers.
Know More…
Document to Structure uses the naming engine to identify text in documents ( MS Office docs, PDF, txt, HTML, etc) and convert them into structures that can be exported as a SDF.
Know More…
ChemCurator is a semi-automated tool to assist users to extract chemical structure and biological data from documents and enable users to work with markush structures in the document.
Know More…
CLiDE is a utility that converts 2D structure diagrams in documents and images into editable structure formats. It highlights errors, if any, in the extracted structure which can be rectified manually.
Know More…
Chemical Editors are the most basic but most essential tool in biochemical research. To facilitate the easy and efficient drawing of chemical structures and biomolecules on desktop or on the web, we offer the following editors.
Marvin Sketch is a fully loaded chemically intelligent chemical editor supporting drawing, editing, and rendering of all kinds of simple and complex chemical structure with publication-quality graphics
Know More…
MarvinJS is a futuristic web-based chemical editor that allows users to draw and edit chemical structures, reactions, markush structures, query molecules, and much more.
Know More…
The efficient handling of Markush or generic structures needs special tools. ChemAxon offers the most advanced makrush tools for Markush Searches, enumeration, composition, and analysis.
ChemCurator is a semi-automated tool to assist users to extract chemical structures and biological data from documents and enable users to work with markush structures in the document.
Know More…
Markush Editor is a dedicated editor for composing Markush structure with hierarchic R-group representation, analysing Markush structures also exporting the claims in text format.
Know More…
Markush enumeration is used to analyze patents and generate virtual libraries of compounds. The plugin can enumerate the entire library or part of it along with homology groups.
Know More…
Markush Search allows searching in combinatorial libraries, without the need to explicitly enumerate all molecules of the markush library. It can handle a variety of generic features.
Know More…
Advances in technology and computer processing speed and storage has enabled exploration of virtual chemical space by generating virtual libraries. We offer scaffold-based enumeration or reaction-based enumeration.
Reactor is a virtual library enumeration engine that uses generic reaction equations with pre-defined reaction rules to generate chemically feasible products or reactions.
Know More…
Markush enumeration is used to analyze patents and generate virtual libraries of compounds. The plugin can enumerate the entire library or part of it along with homology groups.
Know More…
It is essential to comply with the laws and regulations in terms of chemical import, export, and storage. It is not always easy to understand if a chemical is a controlled substance because of the generic definitions provided in the regulations. We offer an easy way to take care of this.
Compliance Checker is a package of software systems and content, that enables users to check if their compounds are controlled in their country of interest by any specific regulation.
Know More…
KNIME (Konstanz Information Miner) is a user-friendly and comprehensive open-source data integration, processing, analysis, and exploration platform. Using KNIME allows users to plug in nodes from various software providers and make a workflow.
Molsoft offers KNIME nodes for ICM Pro, ICM- Chemist, and Chemist pro allowing users to do docking, screening, and other related analysis via KNIME.
Know More…
ChemAxon offers most of its functionalities via KNIME nodes, which can be used to set up a drug discovery or data extraction and analysis workflow.
Know More…
The amount of chemical and biological data that gets generated in a research laboratory becomes difficult to manage over time. We offer solutions that ensure that the data is organized and stored in an efficient manner, so that retrieval of information is also easy.
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.
Know More…
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.
Know More…
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.
Know More…
Plexus Connect provides a web-based solution for management, analysis, searching, and display of scientific data empowered by various ChemAxon technologies at the backend.
Know More…
Standardizer converts the different representations of a chemical structure into a standard representation so that inconsistencies in a database are avoided by following certain rules for representation.
Know More…
Structure Checker ensures the correctness of the drawn structure by automatically checking for errors and issues in the structure and highlighting the identified errors while auto-correcting some.
Know More…
Compound registration uses configurable business logic to normalize, validate and quality check compounds and decide the uniqueness of the new molecules before registering them.
Know More…
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.
Know More…
We offer the following tools for chemoinformatics which assist the users in chemical discovery and analysis.
ICM Chemist Pro is a standalone cheminformatics products containing a wide set of 3D chemical tools, chemical superposition, 3D interactive ligand-receptor editing, and QSAR.
Know More…
The Calculators & Predictors offer a wide range of chemical calculations that are available from multiple endpoints, combining great availability, consistency and integration options.
Know More…
Jklustor is a package of chemical clustering algorithms that performs similarity and structure based clustering of compound libraries and focused sets – in both hierarchical and non-hierarchical fashions
Know More…
A single platform that connects scientific rationale, compound design and computational resources. This is ChemAxon’s design hub for medicinal chemistry from analysis to prioritizing ideas.
Know More…
A collection of functionalities particularly useful in sequence analysis and homology modeling.
The ICM-Bio provides the environment for manipulation of sequences, alignments, profiles and databases both interactively and in a batch mode.
Know More…
The ICM-Homology has proved to be one of the more robust modeling tools, models built with as little as 35% identity can be accurate enough to be successfully used in receptor-based rational drug design.
Know More…
Manage your laboratory data with ease and efficiency with the LIMS and ELN tools from our partners. We offer customizations on top of the available solutions to make it the best fit for your requirement.
A multifunctional tool to capture reactions and experiment details, while enabling seamless search using structure or text. GeneELN also supports Audit trails.
Know More…
Chemical Inventory System enables increased inventory accuracy and operational efficiency by reducing carrying costs and optimizing inventory write-offs. GeneCIS also provides chart and reports.
The system enables the processing of samples by the team and allows the Analytical Team to efficiently perform tests and upload the results through online Ticket generation and report submission.