![]() Some of the strengths that help 2L-GO-Pharm enhance searchability are the reduction of the search space dimension and the introduction of some circular limits for the angular variables. The new-implemented tool maintains or improves the quality of the solutions found by OptiPharm, and achieves it by considerably reducing the number of evaluations needed. In this work, we propose a new tool called 2L-GO-Pharm, which requires less computational effort than OptiPharm, an efficient and robust piece of software recently proposed in the literature. These methods focus on searching for the most similar molecules in a database to a reference one. In this context, ligand-based virtual screening methods are a well-known and helpful tool. ![]() Therefore, fast and efficient methodologies and tools have to be designed to explore them quickly. Molecule databases are made up of large numbers of compounds and are constantly increasing. ![]() Virtual screening methods focus on searching molecules with similar properties to a given compound.
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