Sentence examples for molecules were represented from inspiring English sources

Molecules were represented by topostructural, topochemical, geometrical and quantum chemical descriptors.

The proton spin-lattice relaxation of the grafted molecules were characterized by a bimodal distribution of relaxation times, while unreacted molecules were represented by a single relaxation time.

Molecules were represented by 2D and 3D descriptors calculated with the MOE software [5].

Molecules were represented as 2048-bit Dandight and 1024-bit folded ECFP-4 [20] topological fingerprints.

The structures of NO and NO2 molecules were represented in Fig. 1.

The SMO was the most effective, when molecules were represented by KlekFP with Ibk, Decorate and Random Forest only little worse comparing to them (MCC ~0.8 0.9).

Molecules are represented by molecular graphs.

Molecules are represented by molecular and composition vectors of UNIFAC groups, but most appropriate group-contribution methods are also considered.

The molecules are represented in terms of series of the molecular and composition vectors of functional groups.

The hydrolysis of ethyl acetate can be represented by the following equation: in which the structures of the molecules are represented schematically by their structural formulas.

The candidate molecules are represented as graphs, and as such, customized operators of crossover and mutation have been developed to be compatible with this representation.