AI Driven Drug Discovery

CodeDay Labs 2020 ∙ 
Mentor: Yang Wei, Founder at QM Simulations

Team members: Mehraj Ahmed, Hana Gabrielle Bidon, Shakeel Khan

In recent years, the average price-tag for getting a new drug to market has risen to billion dollars, with long delivery cycle. Opportunity lies in AI Only about 10^8 have ever been synthesized and commonly reported range of potential drug-like molecules is 10^23 - 10^60.

Computer-aided drug discovery is based on the science of Deep Learning Neural Networks to study small molecular chemical compounds. The interaction with Protein compounds. Mainly is referred as measurement of value. TensorFlow for target predication and measurement value predication. Applied different models, including single layer neural network, multi-layer neural network, convolutional neural network for target classification showing CNN model resulted best accuracy over 0.83.

This project will get you started in bioinformatics concepts, also detailed study drugs and utilizing ML algorithms to apply into chemical compounds study. You'll learn some bioinformatics packages, enhance UIs and collecting data from chemical database.

How much experience does your group have? Does the project use anything (art, music, starter kits) you didn't create?

CodeDay Labs advanced-track team
Participation Certificate