Iktos’s de novo generative design software Makya will be deployed by Bayer scientists to facilitate the design of novel molecules according to pre-defined profiles.
Iktos, a company specialised in Artificial Intelligence (AI) for new drug design, and Bayer’s Crop Science division with its industry-leading R&D pipeline and portfolio of seeds & traits, crop protection and digital farming solutions, announced a collaboration to expand the use of AI in the discovery and development of new sustainable crop protection products.
Iktos’s de novo generative design software Makya will be deployed by Bayer scientists to facilitate the design of novel molecules according to pre-defined profiles and accelerate hit-to-lead/lead optimization, whereby potential molecular candidates are further optimized and developed into lead compounds.
Makya is based on deep learning generative models which design and optimize, in-silico, novel molecules that satisfy multiple parameters, such as efficacy, selectivity, safety, and sustainability. The technology brings new insights and directions into the molecular discovery process based on a comprehensive data-driven chemical structure generation technology. It also allows scientists to analyze billions of molecules in a virtual environment, enabling the exploration of new and larger chemical spaces than previously possible. The Makya Software as a Service (SaaS) platform enables researchers to benefit from the technology thanks to its user-friendly interface and a secure and scalable technical implementation in the cloud.
This approach to innovation, validated through multiple collaborations in pharmaceutical research and development, is now being used for the first time to help solve a key challenge in crop protection discovery: the rapid and efficient identification and optimization of successful and safe molecules and holds great potential to support Bayer’s sustainability objective to reduce the environmental impact of agriculture, via lower application rates and favorable safety profiles of its solutions.
“The world’s farmers need dependable and sustainable solutions to overcome current and future challenges including climate change, the increasing resistance of pests to existing solutions and the growing societal expectations about the food we eat and the health of our planet,” said Rachel Rama, Head of Small Molecules at Bayer’s Crop Science division.
“Bayer’s CropKey approach to crop protection innovation is made possible by data-driven breakthrough technologies such as those made accessible by Iktos. They will allow us to unlock a new way to protect crops, food security and the environment and, in doing so, set a new benchmark in the industry.”
“We are thrilled and proud to join forces with Bayer, a leading global life science company and to have Bayer scientists use our software in their small molecule active ingredient design,” said Yann Gaston-Mathé, Co-founder and CEO of Iktos. “It is our ultimate goal to facilitate our technology usage by expert discovery scientists, who have deep knowledge and understanding of their discovery programs. This way, the promise of AI to dramatically improve discovery will have a better chance to be realized and impact small molecule active ingredient development.”
