In this paper, we encoded this real-world problem as a constraint satisfaction problem (CSP) in order to take advantage of the flurry of efficient solution ...

The CSP encoding allowed to take into account structural constraints like inter-atom distances, imposed and forbidden fragments. ResearchGate Logo. Discover the ...

May 18, 2016 · ABSTRACT. In analytical chemistry, the molecular structure generation problem consists in finding all molecular structure that are.

A constrained molecular graph generation with imposed and forbidden fragments · Mohamed Amine OmraniWady Naanaa. Chemistry, Computer Science. SETN. 2016. TLDR.

The main contribution of this paper is an encoding of the constrained graph generation problem in terms of a constraint satisfaction problem (CSP). This ...

A constrained molecular graph generation with imposed and forbidden fragments. M. Omrani, and W. Naanaa. SETN, page 4:1-4:5. ACM, (2016 ). 1. 1. Meta data.

A constrained molecular graph generation with imposed and forbidden fragments. In: Proceedings of the 9th Hellenic Conference on Artificial Intelligence ...

Although graphs are widely used to encode and solve various computational problems, little research exists on constrained graph construction.

Feb 12, 2003 · • non-overlapping fragments. • possibly overlapping prescribed fragments. • forbidden fragments. • surroundings of fragments in various ways.

Apr 25, 2024 · Mohamed Amine Omrani , Wady Naanaa: Constraints for generating graphs with imposed and forbidden patterns: an application to molecular ...