Developments and accessibility of computational methods within machine learning and deep learning have led to the resurgence of methods for computer assisted synthesis planning (CASP). In this paper we introduce our viewpoints on the analysis of reaction data, model building and evaluation. We show how the models’ performance is affected by the specificity of the extracted reaction rules (templates) and outline the direction of research within our group.
CITATION STYLE
Thakkar, A., Bjerrum, E. J., Engkvist, O., & Reymond, J. L. (2019). Neural Network Guided Tree-Search Policies for Synthesis Planning. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 11731 LNCS, pp. 721–724). Springer Verlag. https://doi.org/10.1007/978-3-030-30493-5_64
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