Molecular Docking and VLS

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

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)
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ICM VLS

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
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Screen

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.
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Madfast Similarity Search

MadFast is a high-end toolkit for ultra-fast chemical similarity search. MadFast delivers the 40 most similar structures in ~80ms per 16 M structures and ~5 sec per 1 billion structures
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Molcart GigaSearch

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.
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Chemistry in Documents

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:

Name and Structure conversion

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.
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Document to Structure

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.
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ChemLocator

ChemLocator indexes unstructured chemical data in documents into a structured and searchable database. It also supports cloud-based storage systems like GoogleDrive, OneDrive, etc.
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ChemCurator

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.
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CLiDE

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.
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Chemical Drawing

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

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
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MarvinJS

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.
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BioEddie

BioEddie is a web-based sketcher and viewer for biological macromolecules, where users can seamlessly define and sketch complex biomolecules from scratch or use the available monomer library.
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Markush Tools

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

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.
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Markush Editor

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.
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Markush Enumeration

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.
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Markush Search

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.
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Virtual Library Generation

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

Reactor is a virtual library enumeration engine that uses generic reaction equations with pre-defined reaction rules to generate chemically feasible products or reactions.
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Markush Enumeration

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.
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Chemical Compliance

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

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.
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KNIME

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 Nodes

Molsoft offers KNIME nodes for ICM Pro, ICM- Chemist, and Chemist pro allowing users to do docking, screening, and other related analysis via KNIME.
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ChemAxon Nodes

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.
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Store, Search, Analyse Chemical Data

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

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.
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JChem for Office

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.
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JChem Engine

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.
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Plexus Connect

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

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.
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Structure Checker

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.
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Compound Registration

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

ChemAxon Assay is a web-based assay data management tool that matches intelligent uploading functionalities with a modern scalable database.
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Molcart GigaSearch

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.
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QSAR and Discovery tools

We offer the following tools for chemoinformatics which assist the users in chemical discovery and analysis.

ICM Chemist-Pro

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.
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Calculators and Predictors

The Calculators & Predictors offer a wide range of chemical calculations that are available from multiple endpoints, combining great availability, consistency and integration options.
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JKlustor

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
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Design Hub

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.
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Bioinformatics

A collection of functionalities particularly useful in sequence analysis and homology modeling.

ICM Bio

The ICM-Bio provides the environment for manipulation of sequences, alignments, profiles and databases both interactively and in a batch mode.
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ICM- Homology

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.
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Biopolymer Informatics

These tools are created to remedy the informatics gap between small and macromolecules by introducing its biomolecule technology.

Biomolecule Toolkit

The Biomolecule Toolkit enables standardization, storage and search with a wide range of biological modalities with native support of MOL, FASTA and HELM file formats.
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BioEddie

BioEddie is a web-based sketcher and viewer for biological macromolecules, where users can seamlessly define and sketch complex biomolecules from scratch or use the available monomer library.
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LIMS and ELN

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.

BioRails ELN

A multifunctional tool to define and execute experimental workflows, run instruments, read raw data, and perform quality control checks, analyze data transforming data into results and generate reports.
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BioRails PTO

Useful to define project assay cascades, submit requests, order materials and schedule experimentation and improve tracking, and optimize the performance of your research.
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Morphit

Morphit is a multidimensional spreadsheet used for templating data analysis such as statistics, curve fitting, workflow and reports.
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BioRails ELN

An Electronic Lab Notebook System replaces the paper-based notebooks and electronically captures/documents all the research, experiments, and procedures performed in a laboratory setup.

Gene CIS

A flexible, comprehensive Chemical Inventory Management System that enables us to increase inventory accuracy and operational efficiency by reducing carrying costs and optimizes the inventory write-offs.

Gene ATS

Analytical Ticking System enables the processing of samples by Chemists and Analytical Team to efficiently perform Analytical tests through online Ticket generation.

Call us today at
+91 9833050178 / +91 8275189228
or email us at info@adventinformatics.com

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