Approaches to Cheminformatics and Biomaterials Design by Neural Networks for Structures : First Applications to Small Molecules and Polymers

We present an overview of a new approach to cheminformatics based on neural networks for structures. In particular, we show the relevance of this methodology in the wider framework of new method development for biomaterial design and medicinal chemistry purposes. Current advancements, which include application to the prediction of properties for both small… CONTINUE READING