Shape-it with RDKit backend
Jan Domanski
Source: https://github.com/jandom/shape-it-rdkit
Slides: http://slid.es/jandomanski/deck
LiSIs: a Galaxy-based platform for Life Sciences Informatics Research
Christos Kannas
Slides: Presentations/Kannas.LiSIs.lightning.pdf
Making portable applications with RDKIT
Noel O'Boyle
Slides: Presentations/Noel.PortableApps.pdf
State of the toolkit
Greg Landrum
Slides: Presentations/Landrum.StateOfTheToolkit.pdf
IPython Notebook: Download View
Benchmarking of 2D Fingerprints and Machine-Learning Methods
Sereina Riniker
Slides: Presentations/Riniker.Benchmarking.pdf
Fraggle, A New Similarity Algorithm
Jameed Hussain
Slides: Presentations/Hussain.Fraggle.pdf
LUCID: Supervised Multidimensional Optimization of Compounds Using Matched Molecular Pairs
Gregori Gerebtzoff
Slides: Presentations/Gerebtzoff.LUCID.pdf
3D Matched Molecular Pair tool using RDKit, the PDB and ChEMBL
Anthony Bradley
Compound Standardization
Francis Atkinson
RDKit Gems
Roger Sayle
Slides: Presentations/Sayle.RDKitGems.pdf
Not just for molecules: Reaction fingerprints
Greg Landrum
Slides: [Presentations/Landrum.Reaction Fingerprints.final.pdf](Presentations/Landrum.Reaction Fingerprints.final.pdf)
Lessons Learnt Using RDKit for Multi-Objective Optimisation
Nicholas Firth
Slides: Presentations/Firth.230913-RDKitUGM.pdf
Creating A Conformer Validation Test Set Using RDKit And The Cambridge Structural Database
Tjelvar Olsson
Slides: Presentations/Olsson_RDKit_UGM_2013.pdf
Bringing MMFF to the RDKit
Paolo Tosco
Slides: Presentations/Tosco.RDKit_UGM2013.pdf
Beaker - RDKit in the Bottle on Tornado
Michal Nowotka
Slides: [Presentations/Nowotka_ChEMBL beaker.pdf](Presentations/Nowotka_ChEMBL beaker.pdf)
Clippy - A Little wx Widget Based On RDKit Web Services
George Papadatos
Slides: Presentations/Papadatos_Clippy_RDKit_UGM2.pdf
ESOL/Diversity Filter
Christos Kannas Slides: Presentations/Kannas.2nd_RDKit_UGM_2013_ESOL.pdf
IPython Notebook: Download View
Supplementary Data: Download
Results: Download
Slides: Presentations/Kannas.2nd_RDKit_UGM_2013_Diversity_Filtering.pdf
IPython Notebook: Download View
Pandas and SciKit Learn
Nikolas Fechner
IPython Notebook: Download View
MMPA
Jameed Hussain
IPython Notebook 1: Download View
IPython Notebook 2: Download View