Substructure


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MoSS (Molecular Substructure Miner)  v.2.4

MoSS (Molecular Substructure Miner) find molecular substructures with this tool, help you find frequent molecular substructures and discriminative fragments in a database of molecule descriptions. The algorithm is based on the Eclat algorithm for

LEAP Bridge Suite  v.9.0

LEAP Bridge is powerful concrete bridge analysis and design software trusted by more than 1,800 engineers worldwide. It offers seamless parametric bridge modeling and substructure and superstructure analysis in one integrated offering.





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GGU-Sieve  v.14.0

Wet analysis, Sieve analysis, Combined wet and sieve analysis, with output as a protocol form or as a diagram.

DynaN  v.2.0

A powerful computer program should be founded on advanced theory and be verified by tests and practice. The DYNAN program follows these guidelines.

Screening Assistant 2  v.1.0 RC 1

This program is dedicated to store chemical information in a local or network-accessible MySQL database, and perform various analysis using simple and advanced chemoinformatics methods.

Espresso ELN  v.5.1.2

Espresso ELN is a chemistry electronic lab notebook (ELN), available for free in its local database version.

Ambit - chemical structures database  v.2.2.4.5

AMBIT offers chemoinformatics functionality via REST web services and desktop applications.

Chemical Descriptors Library (CDL)  v.200000

CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors.

ChemicalInventory  v.20070120

chemicalInventory is a chemical intelligent tool for managing chemical inventories.

RDKit  v.2012.03.1

A collection of cheminformatics and machine-learning software written in C++ and Python.

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