Sentence examples for molecular synthesis problem from inspiring English sources

In the visual property clustering approach, the property constraints on the molecular synthesis problem are transformed into a feasibility region on a ternary property clustering diagram.

We report experimental results in a de-novo molecular synthesis problem where we show that the distribution of the molecules generated by the sampling procedure is accurate enough to improve a predictor's performance in a classification task.

Compiling focused libraries by molecular synthesis is essentially a combinatorial problem that can be addressed using graph theory.

Tabu search is used to solve a MINLP formulation of a heat exchanger synthesis problem and a molecular design problem.

Starting with a reaction proposed for commercialization, this approach examines the synthesis problem from the viewpoint of the plant, the reactor, hydrodynamics, transport phenomena, catalyst design, reaction chemistry, and molecular modeling concurrently.

Molecular synthesis requires a string representation of molecules.

Fig. 6 Predicting drug-likeness for molecular synthesis.

Molecular synthesis can build on these insights in two ways.

The synthesis problem is solved via LMI.

Molecular synthesis is limited by physical restrictions on molecules, but more so time and space.

Molecular synthesis methods often use knowledge-based rules to connect fragments.