Molecule Tutorials - Herong's Tutorial Examples - v1.25, by Dr. Herong Yang
What Is RDKit
Provides a quick introduction of RDKit, a collection of cheminformatics and machine-learning software written in C++ and Python.
What Is RDKit - RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
The current release supports the following packages:
rdkit.Avalon package rdkit.Chem package rdkit.Chem.AtomPairs package rdkit.Chem.ChemUtils package rdkit.Chem.Draw package rdkit.Chem.EState package rdkit.Chem.FeatMaps package rdkit.Chem.Features package rdkit.Chem.Fingerprints package rdkit.Chem.Fraggle package rdkit.Chem.MolDb package rdkit.Chem.MolKey package rdkit.Chem.Pharm2D package rdkit.Chem.Pharm3D package rdkit.Chem.Scaffolds package rdkit.Chem.SimpleEnum package rdkit.Chem.Subshape package rdkit.Chem.Suppliers package rdkit.Chem.fmcs package rdkit.DataManip package rdkit.DataStructs package rdkit.Dbase package rdkit.DistanceGeometry package rdkit.ForceField package rdkit.Geometry package rdkit.ML package rdkit.ML.Cluster package rdkit.ML.Composite package rdkit.ML.Data package rdkit.ML.DecTree package rdkit.ML.Descriptors package rdkit.ML.InfoTheory package rdkit.ML.KNN package rdkit.ML.MLUtils package rdkit.ML.ModelPackage package rdkit.ML.NaiveBayes package rdkit.ML.Neural package rdkit.ML.SLT package rdkit.ML.Scoring package rdkit.Numerics package rdkit.SimDivFilters package rdkit.VLib package rdkit.utils package
For more information, visit RDKit Website at http://www.rdkit.org.
Table of Contents
Molecule Names and Identifications
Nucleobase, Nucleoside, Nucleotide, DNA and RNA
►RDKit: Open-Source Cheminformatics Software
Build RDKit from Source Code on CentOS System
Compile, Link and Run RDKit C++ API Examples
ChEMBL Database - European Molecular Biology Laboratory
PubChem Database - National Library of Medicine
INSDC (International Nucleotide Sequence Database Collaboration)
HGNC (HUGO Gene Nomenclature Committee)