Prioritizing Scaffolds for Hit Selection in High Throughput Screening Programs
Crunching Molecules and Numbers in R
Integrating R with the CDK: Enhanced Chemical Data Mining
Navigating Molecular Haystacks: Tools & Applications
When the whole is better than the parts
Pushing Chemical Biology Through the Pipes
Chemogenomics in the cloud: Is the sky the limit?
PMML for QSAR Model Exchange
Smashing Molecules
Enabling Discoveries at High Throughput - Small molecule and RNAi HTS at the NCTT
What Makes a Good Structure Activity Landscape?
Cheminformatics in R
Molecular Representation, Similarity and Search
Characterizing the Density of Chemical Spaces and its Use in Outlier Analysis and Clustering
I Don't Care Where My Data and Methods Are: A Web-Service Approach for Distributed Access to Methods, Data and Models
Random Forest Ensembles Applied to MLSCN Screening Data for Prediction and Feature Selection
Fingerprinting Chemical Structures
Robots, Small Molecules & R