Materials from the 2014 RDKit UGM
State of the toolkit
Greg Landrum
Slides: Presentations/Landrum_StateOfTheToolkit.pdf
IPython Notebook: Download View
Patent chemoinformatics with SureChEMBL and RDKit
George Papadatos
Slides: Presentations/Papadatos_SureChEMBL.pdf
IPython Notebook: Download View
Working with Conformers from Molecular Dynamics Simulations in the RDKit
Sereina Riniker
Nonadditivity analysis with the RDKit
Christian Kramer
Slides: Presentations/Kramer_NonadditivityAnalysis.pdf
Mining the CSD for matched molecular crystal structures
Ilenia Giangreco
Using RDKit without RDKit - Beaker update
Michal Nowotka
Slides: Presentations/Nowotka_Beaker. Live version of the slides here
MolGears: A cheminformatics tool for bioactive molecules
Adrian Jasinski
Slides: Presentations/Jasinski_MolGears.pdf
PYPL: An Oracle cartridge enabling RDKit functions in SQL and PL/SQL
Jan Holst Jensen
Slides: Presentations/Jensen_PyPL.pdf
Python3 support in the RDKit
Riccardo Vianello
Slides: Presentations/Vianello_Python3Support.pdf
Being more reactive - Expanded chemical reaction support in the RDKit
Nadine Schneider
Slides: Presentations/Schneider_BeingMoreReactive.pdf
Reaction Informatics with RDKit: An explosive combination
Roger Sayle
Slides: Presentations/Sayle_RDKitReactions.pdf
Matched Molecular Sequences: finding the missing pair
Gregori Gerebtzoff
Scaffold analysis in Python with RDKit and pandas
Samo Turk
IPython notebook: [Download](Notebooks/Scaffold analysis of ChEMBL data with pandas and RDKit) View
An interactive SDF viewer
Axel Pahl
Slides: Presentations/Pahl_SDFViewer.pdf
Using RDKit for Matched Molecular Series Analysis: When two are not enough
Noel O'Boyle
Open-source from/in the enterprise
Greg Landrum
Slides: Presentations/Landrum_OpenSource.pdf