Erratum to: A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands
نویسندگان
چکیده
منابع مشابه
Erratum to: A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands
A physicochemical property-based desirability scoring scheme for fragment-based drug discovery was developed for class A aminergic GPCR targeted fragment libraries. Physicochemical property distributions of known aminergic GPCR-active fragments from the ChEMBL database were examined and used for a desirability function-based score. Property-distributions such as log D (at pH 7.4), PSA, pKa (str...
متن کاملFunction-specific virtual screening for GPCR ligands using a combined scoring method
The ability of scoring functions to correctly select and rank docking poses of small molecules in protein binding sites is highly target dependent, which presents a challenge for structure-based drug discovery. Here we describe a virtual screening method that combines an energy-based docking scoring function with a molecular interaction fingerprint (IFP) to identify new ligands based on G prote...
متن کاملa new type-ii fuzzy logic based controller for non-linear dynamical systems with application to 3-psp parallel robot
abstract type-ii fuzzy logic has shown its superiority over traditional fuzzy logic when dealing with uncertainty. type-ii fuzzy logic controllers are however newer and more promising approaches that have been recently applied to various fields due to their significant contribution especially when the noise (as an important instance of uncertainty) emerges. during the design of type- i fuz...
15 صفحه اولA Robust Desirability-based Approach to Optimizing Multiple Correlated Responses
There are many real problems in which multiple responses should be optimized simultaneously by setting of process variables. One of the common approaches for optimization of multi-response problems is desirability function. In most real cases, there is a correlation structure between responses so ignoring the correlation may lead to mistake results. Hence, in this paper a robust approach based ...
متن کاملa new approach to credibility premium for zero-inflated poisson models for panel data
هدف اصلی از این تحقیق به دست آوردن و مقایسه حق بیمه باورمندی در مدل های شمارشی گزارش نشده برای داده های طولی می باشد. در این تحقیق حق بیمه های پبش گویی بر اساس توابع ضرر مربع خطا و نمایی محاسبه شده و با هم مقایسه می شود. تمایل به گرفتن پاداش و جایزه یکی از دلایل مهم برای گزارش ندادن تصادفات می باشد و افراد برای استفاده از تخفیف اغلب از گزارش تصادفات با هزینه پائین خودداری می کنند، در این تحقیق ...
15 صفحه اولذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2014
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-014-9812-5