SciELO

A 2D-QSPR approach to predict blood-brain barrier penetration of drugs acting on the central nervous system

Drugs acting on the central nervous system (CNS) have to cross the blood-brain barrier (BBB) in order to perform their pharmacological actions. Passive BBB diffusion can be partially expressed by the ...
GitHub

Pyvisco is a Python library that supports the identification of Prony series parameters for Generalized Maxwell models describing linear viscoelastic materials.

The mechanical response of linear viscoelastic materials is often described with Generalized Maxwell models. The necessary material model parameters are typically identified by fitting a Prony series ...
IEEE

Refining Time-Space Traffic Diagrams: A Simple Multiple Linear Regression Model

Abstract: A time-space (TS) traffic diagram, which presents traffic states in time-space cells with color, is an important traffic analysis and visualization tool. Despite its importance for ...
C&EN

Activity Coefficients from an Equation of State: Novel Approach for Fast Phase Equilibrium Calculations

Department of Chemical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia Interdisciplinary Research Center for Refining & Advanced Chemicals, King Fahd ...