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Found 4 papers, 1 papers with code
Learning to Plan Chemical Syntheses
We anticipate that our method will accelerate drug and materials discovery by assisting chemists to plan better syntheses faster, and by enabling fully automated robot synthesis.
Towards "AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies
Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals.
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
In de novo drug design, computational strategies are used to generate novel molecules with good affinity to the desired biological target.
Modelling Chemical Reasoning to Predict Reactions
The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations.
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