Promiscuous inhibition caused by small molecule aggregation is a major source of false positive results in high-throughput screening. To mitigate this, use of a nonionic
Category: Hints and Tutorials
Tutorials, Hints, Tips and Tricks
The Open Source Malaria project is trying a different approach to curing malaria. Guided by open source principles, everything is open and anyone can contribute. To date
Whilst most of the Vortex scripts mentioned on this site to date involve chemical structures we should not forget that Vortex is an excellent general
In an earlier script I described the use of the ability to script multiple sub-structure searches using SMARTS. There are many occasions when this sort
ChEMBL is a manually curated chemical database of bioactive molecules . It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory
One of the really neat features of the latest version of Vortex (> build 29622) is the ability to script multiple sub-structure searches using SMARTS.
Well things can change quickly at times, in the last tutorial I wrote.. Vortex has a limited capacity to render HTML, it is however a
Vortex has a limited capacity to render HTML, it is however a very limited ability so there is no support for javascript or CSS but
It is clear from many publications that a number of physicochemical properties influence central nervous system (CNS) penetration and it is often possible to play
Un1Chem is a new web resource provided by the EBI, it is a ‘Unified Chemical Identifier’ system, designed to assist in the rapid cross-referencing of chemical