7 citations · 18 across the 4 of their papers we have counts for
3 papers · 1 filter
A Novel Method for Inference of Acyclic Chemical Compounds with Bounded Branch-height Based on Artificial Neural Networks and Integer Programming
Naveed Ahmed Azam, Jianshen Zhu, Yanming Sun +5
Analysis of chemical graphs is a major research topic in computational molecular biology due to its potential applications to drug design. One approach is inverse quantitative stru…
Enumerating Chemical Graphs with Two Disjoint Cycles Satisfying Given Path Frequency Specifications
Kyousuke Yamashita, Ryuji Masui, Xiang Zhou +4
Enumerating chemical graphs satisfying given constraints is a fundamental problem in mathematical and computational chemistry, and plays an essential part in a recently proposed fr…
Enumerating Chemical Graphs with Mono-block 2-Augmented Tree Structure from Given Upper and Lower Bounds on Path Frequencies
Yuui Tamura, Yuhei Nishiyama, Chenxi Wang +4
We consider a problem of enumerating chemical graphs from given constraints concerning their structures, which has an important application to a novel method for the inverse QSAR/Q…