Patents
Literature
1 results about "Markov logic network" patented technology
Efficacy Topic
Property
Owner
Technical Advancement
Application Domain
Technology Topic
Technology Field Word
Patent Country/Region
Patent Type
Patent Status
Application Year
Inventor
A Markov logic network (MLN) is a probabilistic logic which applies the ideas of a Markov network to first-order logic, enabling uncertain inference. Markov logic networks generalize first-order logic, in the sense that, in a certain limit, all unsatisfiable statements have a probability of zero, and all tautologies have probability one.
Methods, apparatus, and media for performing retro-synthetic analysis of a compound molecule
The present disclosure relates to a method, device and medium for performing retrosynthesis analysis on a compound molecule. A method for performing retrosynthesis analysis on a compound molecule is provided, comprising: determining probability graph weights of single-step reactions of a Markov logic network based on actual reaction learning data, thereby obtaining a trained Markov logic network; receiving an encoded molecular structure of a target compound; inputting the encoded molecular structure into the trained Markov logic network, and predicting a plurality of candidate retrosynthesis paths of the target compound through the Markov logic network; inputting the plurality of candidate retrosynthesis paths into a reinforcement learning model, training the reinforcement learning model based on existing actual reaction processes, so that a path consistent with an actual synthesis path obtains a reward, and updating a transition matrix in the reinforcement learning model; and determining one or more selected retrosynthesis paths from the plurality of candidate retrosynthesis paths by using the finally obtained transition matrix through the reinforcement learning model.
Owner:CHINA TELECOM CORP LTD