Publications and Presentations

Applying Med Chem Transformations and Multi-Parameter Optimisation


This article on applying med chem transformations and multi-parameter optimisation describes the concepts and algorithms underlying StarDrop’s Nova module. We’ve developed a computational approach to generate new compound ideas which are likely to be suitable for a particular user-defined profile. This method takes recorded literature examples of chemical transformations and applies them to a starting molecule, with integrated predictive modelling and probabilistic scoring to pick out the very best resultant compound suggestions.

Applying Med Chem Transformations

Citation details

M. D. Segall, E. J. Champness, C. Leeding, R. Lilien, R. Mettu, B. Stevens, J. Chem. Inf. Model., 2011, 51(11) pp. 2967-2976
DOI: 10.1021/ci2003208

Find out more

Read the final published article on the journal webpage, or take a look at the Nova webpage for more information about all the great features enabled by this research.


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With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the drug optimisation and discovery process.