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SARvision Plus 2.9
SARvision Plus 2.9 is a desktop application to assist you in the visualization, mining and organization of chemical data. The program automatically identifies chemotypes in a chemical library and organizes them into a tree structure. It has great flexibility in the definition of chemotypes, and it can filter data by scaffold type or any associated data, such as HTS results and physicochemical data. It is a fast solution to identify chemotypes responsible for a given activity.
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ChemDox 1.0
ChemDox 1.0 is a desktop application aimed to help you in the processing of chemical documents. With ChemDox you can select a list of chemical names from a website, a chemical document, a PDF or other text files and convert those lists into editable structures.
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ChemSABRE 1.1
ChemSABRE 1.1 is a desktop application to enable you in the analysis of substitution patterns in SAR studies. The program creates two-way data tables for substituents, and it has table cells where the data can be colored by a property of interest (heatmaps) or plotted in a customizable graph.From the display table, ChemSABRE can enumerate all possible combinations of pendent groups that are mising (hole enumeration), and it comes with a database of fragment pairs that have been reported in the literature to be bioisosteric replacements. In addition, computed bioisosteric pairs can be selected weighing the contribution of steric, entropic and electronic properties.
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ChemASP
ChemASP is a proprietary scaffold and chemotype identification algorithm that identifies common substructures present in a chemical dataset and presents them into a hierarchical tree of increasing complexity. From atom by atom scaffold expansion, to the use of chemical intelligence to identify common substructures, the power user has great flexibility to mine their datasets with this tool for their particular needs. Implemented in 32 or 64 bit versions for Linux (Suze or Redhat) or windows servers, this solution is ideal for customers who want to analyze their large datasets.
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