The validation of predictive potential via the system of self-consistent models: the simulation of blood-brain barrier permeation of organic compounds.

Toropova AP, Toropov AA, Roncaglioni A, Benfenati E, Leszczynska D, Leszczynski J. The validation of predictive potential via the system of self-consistent models: the simulation of blood-brain barrier permeation of organic compounds. J Mol Model. 2023 Jun 29; 29(7):218.

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subject areas

Algorithms
Blood-Brain Barrier
Computer Simulation
Organic Chemicals
Reproducibility of Results

authors with profiles

Jerzy Leszczynski

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