Products

Noesis' software can be of use to enterprises from the pharmaceutical, agrochemical and biotechnology industries that are actively engaged in the quest for discovery of new small molecules with desirable biological properties. Noesis decision support system can also be of use to enterprises from the cosmetics and food supplements fields which regularly perform investigations to detect molecules with e.g. specific odor, skin effect, favorable taste or minimal environmental toxicity effects.

Our tools identify the relationships between chemical structures and multiple biological properties and formulate rules describing biological behavior. A key step in the process is chemical scaffold extraction performed via substructure mining methods. The resulting knowledge can be inspected at generation time, used to design molecular libraries and suggest novel compounds that satisfy multiple biological, chemical as well as other user-defined constraints while covering the pharmacological space of interest or stored in a knowledge-base for future use. For more information on our technology visit our technology overview.

NSisToolkit

Noesis flagship product is the NSisToolkit consisting of two software suites, the NSisUtilities suite and the NSisApps suite. NSisUtilities provides robust, efficient, flexible, fundamental chemoinformatics utilities to the expert user. The utilities include chemical structure and property databases, fragmentation and substructure mining tools, a compound selection module and a chemical dataset clustering utility. NSisApps provides solutions to more complex chemoinformatics problems that require the execution of multiple algorithmic steps such as molecular library design and lead optimization.

NSisUtilities offers the following functionalities:

NSisChemDB: A chemical structure database module.
NSisBioDB: A molecular property database module.
NSisFragment: A fragmentation and substructure mining module.
NSisProfile: A fragment characterization and profiling module.
NSisOrganize: A chemical data clustering module
NSisSelect: A compound selection tool

NSisApps offers the following applications:

NSisDesign: A molecular library design tool
NSisNovo: A de novo molecular design tool

All functionalities and applications use graph-representations of molecules and scaffold-based reasoning and can accomodate multiple objectives (if applicable and provided) in the model construction and solution search process.

Version 0.9 of the NSisToolkit consisting of the NSisUtilities suite is now available for Windows PC's. A product sheet is available with details about the core functionalities available. Contact us for more information and an evaluation license.

NSISGnosis

NSISGnosis is Noesis' knowledge-base where all knowledge extracted from chemical and biological datasets, such as screening data, can be permanently stored. NSISGnosis can also accept knowledge directly inserted from expert users provided that the appropriate format is used. The knowledge base comes with a flexible API that allows users to easily query and retrieve knowledge of interest, and integration with other software components as part of a workflow or a task-specific script. NSISGnosis can also be equipped with a GUI for ease of knowledge manipulation and viewing.

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