Recent Posts
Fragment activity profiler
A challenging task in early stage lead discovery is the triaging of chemical series from high throughput screening (HTS) assays. Here triaging is a multiplex problem that seeks to find the balance b... Read More
A fragment-based approach to (multiple) MCS
Maximum common subgraph (MCS) is considered as one of the most challenging problems in combinatorial optimization. As a generalization to (sub-) graph isomorphism, MCS has deep roots within cheminfo... Read More
The NPC browser
February 19, 2011: Please see an updated version here. In preparation for the release of the NCGC pharmaceutical collection (NPC) dataset, we've prepared a trimmed down version of Tripod focusing on... Read More
The NCGC pharmaceutical collection
The best way to make a drug is to start with a drug. This is the mantra that an experienced medicinal chemist at the NCGC often preached to us. Indeed, drug repurposing has become a much needed disc... Read More
Molecular framework
Molecular framework forms the basis for which compounds are organized, indexed, and visualized within Tripod. There are two types of framework currently being generated when compounds are registered... Read More
Scaffold activity diagram
Understanding structure activity relationship (SAR) is fundamental to early stage drug discovery. With limited resources, the fate of a therapeutics campaign often rests upon the project team's abil... Read More
Tautomer generator
The ability of atoms within a molecule to interconvert between hydrogen-donor and acceptor due to tautomerism plays an important role in drug discovery. This interconversion not only affects the mol... Read More
We’re hiring…
The development of Tripod is progressing steadily further along. With limited bandwidth, it's difficult for us to keep up the pace while at the same time providing support for internal software proj... Read More
Visualizing structural diversity
Assessing chemical diversity is an integral part of library design. Depending on the specific requirements (e.g., lead discovery, target-focused), numerous approaches are available for assessing div... Read More
Structure standardizer
Although much of our recent effort has been toward the user interface, the backend of Tripod is by far where we've spent most of our development effort. We hope to provide a more detailed descriptio... Read More
Automated R-group analysis
Update Apr. 27, 2013: This tool has been obsoleted by Scaffold Hopper with additional features and bug fixes. Generating R-group tables is a tedious task that we often find ourselves performed repeate... Read More
Categories and entity grouping
Over the past couple of weeks we've been making steady progress. Since our first priority is to provide a usable tool for the practicing scientists, it's important that we take the time to make a go... Read More
- 2 of 2
- « Previous
- 1
- 2