The discovery of molecular structures with desired properties for applications in drug discovery, crop protection, or chemical biology is among the most impactful scientific challenges. However, given the complexity of biological systems and the associated cost for experiments and trials, molecular design is also scientifically very challenging, prone to failure, inherently expensive and time consuming. To improve our odds and the timelines in this process, and to identify good starting points, unbiased incorporation of knowledge through continuous analysis of literature and patents from different scientific fields is required

https://doi.org/10.1007/s10822-020-00317-x - 2020