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Virtual Screening

Screen billions of compounds in a matter of days

Virtual screening is a cost and time-efficient Hit Generation strategy maximising recent advances in computing power, modelling technologies and artificial intelligence to offer an attractive alternative to High Throughput Screening (HTS). Virtual screening is a particularly attractive strategy to scout vast chemical spaces and rapidly identify novel chemical series for novel and well-established biological targets. At Concept Life Sciences, we have a proven track record of identifying high-quality hits using an array of virtual screening techniques, from established ligand-based models to pioneering Machine Learning algorithms.

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A more in-depth view

A proven Hit Generation strategy

Our CADD experts apply ligand-based and structure-based virtual screening techniques to identify new hits and set you drug discovery project on the right track. Our many successful virtual screening campaigns span a range target classes and therapeutic areas with in vitro confirmation rates typically ranging from 10% to 40%.

  • Vast virtual collections: We offer the screening of several billions made-to-order compounds (e.g. Enamine REAL) thanks to our top-end computing infrastructure. We also enumerate virtual compound collections tailored to your biological targets and project needs.
  • The right in silico models: We establish, train and validate fit-for-purpose ligand-based (3D-QSAR) or structure-based (docking) models maximising your data. 
  • Cutting-edge screening technologies: Our AI-driven technology enables the screening of vast compounds collections using high-quality docking, in a matter of days. With in vitro confirmation rates of up 40%, we offer this platform as one of the leanest and most successful hit identification strategies available on the market.

Our biology experts rapidly confirm virtual hits using a range of biochemical, biophysical and cellular screening techniques adapted to your target. We perform additional in vitro ADMET profiling to help select and optimise the best hits to kick start your drug discovery programme.

Maximise your chances of success by combining virtual screening with other hit generation strategies including fragment screening, medium and high throughput (HTS) screening and rational design.