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
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
MMPA
Jameed Hussain
IPython Notebook 1: Download View
IPython Notebook 2: Download View