We present a methodology for solving the inverse-quantitative structure-activity relationship (QSAR) problem using the molecular descriptor called signature. This methodology is detailed in four parts. First, we create a QSAR equation that correlates the occurrence of a signature to the activity values using a stepwise multilinear regression technique. Second, we construct constraint equations,...

we study the equilibrium states for an energy functional with a parametric force field on a region of a surface. consideration of free equilibrium states is based on lyusternik - schnirelman's and skrypnik's variational methods. consideration of equilibrium states under a constraint of geometrical character is based on an analog of skrypnik's method, described in cite{vyr3}. in local coordinate...

In the current study, the effects of Casimir force and squeeze film damping on pull-in instability and dynamic behavior of electrostatically actuated nano and micro electromechanical systems are investigated separately. Linear elastic membrane theory is used to model the static and dynamic behavior of the system for strip, annular and disk geometries. Squeeze film damping is modeled using nonli...

A continuum constraint-free phase field model is proposed to simulate the magnetic domain evolution in ferromagnetic materials. The model takes the polar and azimuthal angles (ϑ1,ϑ2), instead of the magnetization unit vector m(m1,m2,m3), as the order parameters. In this way, the constraint on the magnetization magnitude can be exactly satisfied automatically, and no special numerical treatment ...

The Lorentz force equation F = q(E + v × B), which has been used by the engineering community since early 20th century to control motion of electrons on free trajectories, in a wide range technical applications, is generalized that was originally developed Hendrik Antoon at beginning century, and treats, single formulation, two very different aspects behavior free-moving electrons. This article...

In this paper we present a robust hybrid motion/force controller for rigid robot manipulators. The main contribution of this paper is that the proposed hybrid control system is able to accomplish motion objectives in free directions and force objectives in constrained directions under parametric uncertainty both in robot dynamics and stiffness constraint constant. Also, the given scheme is prov...

We apply the singular gauge transformation to the constraint equation for the lowest Landau level to investigate the generic properties of the quasiparticles of the fractional quantum Hall system by using the collective-field-theory approach. It shows a transparent connection with Laughlin s wave functions. If we take an average over the wave functional for the constraint equation, the resultin...