drug discovery Design make test analyse

Lead Optimisation at NovaData

Idea generation for lead molecule optimisation can appear straightforward, however compound prioritisation is challenging. At NovaData we aim to make rational design a priority to help guide your decision making process and to improve the Design-Make-Test-Analyse process.

We work closely with our clients to deliver optimal computational modelling and rational drug design from Hit Identification, through Hit Expansion, Hit to Lead and Lead Optimisation.  Our support is offered to address challenges in molecular design throughout the discovery process, including:

- Druggability and ligandability assessment
- 2D & 3D QSAR modelling
- Molecular property prediction
- Molecular Interaction Analysis
- Multi-parameter optimization
- Scaffold hopping
- in silico ADMET prediction
- Off-target analysis



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