A Parameter-perturbation Approach to Replanning Operations

2007 ◽  
pp. 365-392
Author(s):  
Nazrul I. Shaikh ◽  
Michael Masin ◽  
Richard A. Wysk
Keyword(s):  
Perturbation Approach ◽  
Parameter Perturbation

Dynamics of the parameter-perturbation process

1966 ◽  
Vol 113 (6) ◽  
pp. 1077 ◽  
Author(s):  
J.L. Douce ◽  
K.C. Ng ◽  
M.M. Gupta
Keyword(s):  
Parameter Perturbation

A Free Energy Perturbation Approach to Estimate the Intrinsic Solubilities of Drug-like Small Molecules

2019 ◽  
Author(s):  
Sayan Mondal ◽  
Gary Tresadern ◽  
Jeremy Greenwood ◽  
Byungchan Kim ◽  
Joe Kaus ◽  
...  
Keyword(s):  
Solid State ◽  
Small Molecules ◽  
Three Dimensional ◽  
Aqueous Solubility ◽  
Computational Approach ◽  
Free Energy Perturbation ◽  
Perturbation Approach ◽  
Energy Perturbation ◽  
State Form ◽  
Good Agreement

<p>Optimizing the solubility of small molecules is important in a wide variety of contexts, including in drug discovery where the optimization of aqueous solubility is often crucial to achieve oral bioavailability. In such a context, solubility optimization cannot be successfully pursued by indiscriminate increases in polarity, which would likely reduce permeability and potency. Moreover, increasing polarity may not even improve solubility itself in many cases, if it stabilizes the solid-state form. Here we present a novel physics-based approach to predict the solubility of small molecules, that takes into account three-dimensional solid-state characteristics in addition to polarity. The calculated solubilities are in good agreement with experimental solubilities taken both from the literature as well as from several active pharmaceutical discovery projects. This computational approach enables strategies to optimize solubility by disrupting the three-dimensional solid-state packing of novel chemical matter, illustrated here for an active medicinal chemistry campaign.</p>

scholarly journals Formation Control of Unmanned Vessels with Saturation Constraint and Extended State Observation

2021 ◽  
Vol 9 (7) ◽  
pp. 772
Author(s):  
Huixuan Fu ◽  
Shichuan Wang ◽  
Yan Ji ◽  
Yuchao Wang
Keyword(s):  
Formation Control ◽  
Control Method ◽  
Tracking Error ◽  
External Environment ◽  
Control Force ◽  
Extended State ◽  
Parameter Perturbation ◽  
State Observation ◽  
Saturation Constraint ◽  
The Stability

This paper addressed the formation control problem of surface unmanned vessels with model uncertainty, parameter perturbation, and unknown environmental disturbances. A formation control method based on the control force saturation constraint and the extended state observer (ESO) was proposed. Compared with the control methods which only consider the disturbances from external environment, the method proposed in this paper took model uncertainties, parameter perturbation, and external environment disturbances as the compound disturbances, and the ESO was used to estimate and compensate for the disturbances, which improved the anti-disturbance performance of the controller. The formation controller was designed with the virtual leader strategy, and backstepping technique was designed with saturation constraint (SC) function to avoid the lack of force of the actuator. The stability of the closed-loop system was analyzed with the Lyapunov method, and it was proved that the whole system is uniformly and ultimately bounded. The tracking error can converge to arbitrarily small by choosing reasonable controller parameters. The comparison and analysis of simulation experiments showed that the controller designed in this paper had strong anti-disturbance and anti-saturation performance to the compound disturbances of vessels and can effectively complete the formation control.

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