
An Inverse QSAR Method Based on Linear Regression and Integer Programming
Recently a novel framework has been proposed for designing the molecular...
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Tree Edit Distance with Variables. Measuring the Similarity between Mathematical Formulas
In this article, we propose tree edit distance with variables, which is ...
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A novel method for inference of chemical compounds with prescribed topological substructures based on integer programming
Analysis of chemical graphs is becoming a major research topic in comput...
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Discrimination of attractors with noisy nodes in Boolean networks
Observing the internal state of the whole system using a small number of...
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A Novel Method for Inference of Acyclic Chemical Compounds with Bounded Branchheight Based on Artificial Neural Networks and Integer Programming
Analysis of chemical graphs is a major research topic in computational m...
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On the Compressive Power of Boolean Threshold Autoencoders
An autoencoder is a layered neural network whose structure can be viewed...
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Enumerating Chemical Graphs with Two Disjoint Cycles Satisfying Given Path Frequency Specifications
Enumerating chemical graphs satisfying given constraints is a fundamenta...
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Enumerating Chemical Graphs with Monoblock 2Augmented Tree Structure from Given Upper and Lower Bounds on Path Frequencies
We consider a problem of enumerating chemical graphs from given constrai...
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New Algorithms for Unordered Tree Inclusion
The tree inclusion problem is, given two nodelabeled trees P and T (the...
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Tatsuya Akutsu
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