Artificial Intelligence techniques such as deep learning are revolutionising our ideas about what computational approaches can achieve. Applications such as self-driving cars, chatbots, fraud detection and face recognition are now commonplace. IFOWONCO is applying deep learning techniques in the drug discovery domain.
This software approach can sensitively model putative drug/target interactions at rates and accuracy that simply would not be feasible using traditional approaches.
Computational screening provides several advantages. Although, high-throughput screening has the potential to rapidly screen thousands of compounds. This obviously relies of having in-house large expensive compound libraries. Secondly, such high-throughput approaches are less suitable where the assay is complex, time-consuming or expensive. Computationally identifying likely target binding compounds up front provides a mechanism to survey potentially more compounds, including ones yet to be synthesised whilst limiting the amount of downstream laboratory assays required to be carried out.
Advanced Hit and Lead Optimisation
IFOWONCO has developed advanced software approaches to calculate the free energy of binding and pose of compounds to their protein target, proven to be one of the most effective algorithmic approaches ever developed. These methods represent the key technology required for the optimisation of compound candidates. Working with IFOWONCO at the compound optimisation stage can significantly speed up your drug discovery process by accurately assessing more compounds before going through the time consuming and expensive process of chemically synthesising candidates.