Routescore: Punching the Ticket to More Efficient Materials Development
Martin Seifrid, Riley J. Hickman, Andrés Aguilar‐Granda, Cyrille Lavigne, Jenya Vestfrid, Tony Wu, Théophile Gaudin, Emily J. Hopkins, Alán Aspuru‐Guzik
Abstract
estimation of the synthetic costs.
Topics & Concepts
Computer scienceChemical spaceBottleneckFlexibility (engineering)Synthetic dataThroughputA priori and a posterioriArtificial intelligenceEmbedded systemDrug discoveryBioinformaticsTelecommunicationsEpistemologyBiologyWirelessPhilosophyMathematicsStatisticsMachine Learning in Materials ScienceInnovative Microfluidic and Catalytic Techniques InnovationComputational Drug Discovery Methods