An overview of scoring functions used for protein–ligand interactions in molecular docking

J Li, A Fu, L Zhang - Interdisciplinary Sciences: Computational Life …, 2019 - Springer
Currently, molecular docking is becoming a key tool in drug discovery and molecular
modeling applications. The reliability of molecular docking depends on the accuracy of the …

[图书][B] Artificial neural networks in biological and environmental analysis

G Hanrahan - 2011 - books.google.com
Originating from models of biological neural systems, artificial neural networks (ANN) are the
cornerstones of artificial intelligence research. Catalyzed by the upsurge in computational …

A comparative study on the influential factors of China's provincial energy intensity

G Yang, W Li, J Wang, D Zhang - Energy Policy, 2016 - Elsevier
China has become the largest energy consumer worldwide, and it is important to study the
energy intensity to realize the sustainable development goal of China. This paper focuses …

Extreme data mining: Inference from small datasets

R Andonie - International Journal of Computers …, 2010 - digitalcommons.cwu.edu
Neural networks have been applied successfully in many fields. However, satisfactory
results can only be found under large sample conditions. When it comes to small training …

Characterization of small molecule binding. I. Accurate identification of strong inhibitors in virtual screening

B Ding, J Wang, N Li, W Wang - Journal of chemical information …, 2013 - ACS Publications
Accurately ranking docking poses remains a great challenge in computer-aided drug
design. In this study, we present an integrated approach called MIEC-SVM that combines …

Computational intelligence methods for docking scores

D Hecht, GB Fogel - Current Computer-Aided Drug Design, 2009 - ingentaconnect.com
Computer-aided drug design (CADD) methodologies have proven to be very effective,
greatly enhancing the efficiency of small molecule drug discovery and development …

Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches

F Zheng, M Zhan, X Huang, MDMA Hameed… - Bioorganic & medicinal …, 2014 - Elsevier
Butyrylcholinesterase (BChE) has been an important protein used for development of anti-
cocaine medication. Through computational design, BChE mutants with∼ 2000-fold …

Image coding by adaptive tree-structured segmentation

X Wu - IEEE transactions on information theory, 1992 - ieeexplore.ieee.org
A new algorithmic approach to segmentation-based image coding is proposed. A good
compromise is achieved between segmentation by quadtree-based decomposition and by …

Fuzzy ARTMAP prediction of biological activities for potential HIV-1 protease inhibitors using a small molecular data set

R Andonie, L Fabry-Asztalos… - IEEE/ACM …, 2009 - ieeexplore.ieee.org
Obtaining satisfactory results with neural networks depends on the availability of large data
samples. The use of small training sets generally reduces performance. Most classical …

Interpretable features for the activity prediction of short antimicrobial peptides using fuzzy logic

R Mikut, K Hilpert - International Journal of Peptide Research and …, 2009 - Springer
Antimicrobial peptides are a promising class of substances for overcoming multidrug
resistant bacteria. In a previous study, high-throughput screening of short peptides for …