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--- ict:software:chemsuite [2020/05/28 13:33] – external edit 127.0.0.1
+++ ict:software:chemsuite [2021/11/10 18:12] (current) – hindiadmin
@@ Line 1: / Line 1: @@
+---json
+{
+    "canonical":"ict:software:chemsuite",
+    "title":"ChemSuite",
+     "description":"A description for the search page result engine"
+}
+---
 ====== ChemSuite ======
+{{:ict:software:pasted:ict:software:chemsuite-20211110-181232.png |}}
 It is a multi-featured, powerful toolkit, having a collection of useful modules such as data refinement, descriptor calculator, data splitter, normalizer, feature selector, ML models development and validation, and analysis. It is a perfect one stop solution for industrial and academic research.
+<blockquote>
+http://14.139.57.41/chemsuiteweb/ \\
+<btn>[[http://14.139.57.41/chemsuiteweb/Downloads/Windows-setup.zip|Windows-setup]]</btn>
+<btn>[[http://14.139.57.41/chemsuiteweb/Downloads/Linux-setup.zip|Linux-setup]]</btn>
+<btn>[[http://14.139.57.41/chemsuiteweb/Downloads/Import_file-3.zip|Tutorial]]</btn>
+</blockquote>
+**ChemSuite Features**\\
+**Descriptors Calculations**\\
+Calculates 1D, 2D and 3D descriptors that encode chemical composition, topology, and 3D shape and functionality using RDKit, PyDPI and PaDEL.
+**Processing of Molecules**\\
+Helps in processing user given data points using splitting, normalization and selection modules
+**Algorithms Implementations**\\
+Contains several algorithms for training models. ML algorithms such as Random Forest, Support Vector Machine etc. are part of the tool.
+**Analysis of Results**\\
+Allows the user to examine predicted results with interactive visualization . for each molecule.
+====== References: ======
+  - Sujit R. Tangadpalliwar, Sachin Vishwakarma, Rakesh Nimbalkar, Prabha Garg (2019) ChemSuite: A package for Chemoinformatics calculations and Machine Learning. DOI: https://doi.org/10.1111/cbdd.13479
-http://14.139.57.41/chemsuiteweb/