Probabilistic neural network model for the in silico evaluation of anti-HIV activity and mechanism of action
A theoretical model has been developed that discriminates between active and nonactive
drugs against HIV-1 with four different mechanisms of action for the active drugs. The model …
drugs against HIV-1 with four different mechanisms of action for the active drugs. The model …
Quantitative structure-activity relationship (QSAR) models and their applicability domain analysis on HIV-1 protease inhibitors by machine learning methods
Y Tian, S Zhang, H Yin, A Yan - Chemometrics and Intelligent Laboratory …, 2020 - Elsevier
Abstract HIV-1 protease inhibitors (PIs) make a vital contribution on highly active
antiretroviral therapy (HAART) of human immunodeficiency virus (HIV). In this study, 14 …
antiretroviral therapy (HAART) of human immunodeficiency virus (HIV). In this study, 14 …
Modeling anti-HIV compounds: the role of analogue-based approaches
H Kumar Srivastava, MH Bohari… - … computer-aided drug …, 2012 - ingentaconnect.com
There has been a tremendous progress in the development of anti-HIV therapies since the
discovery of the HIV virus. Computer aided drug design in general and analogue-based …
discovery of the HIV virus. Computer aided drug design in general and analogue-based …
Exploring QSAR of non-nucleoside reverse transcriptase inhibitors by neural networks: TIBO derivatives
L Douali, D Villemin, D Cherqaoui - International Journal of Molecular …, 2004 - mdpi.com
Human Immunodeficiency Virus type 1 (HIV-1) reverse transcriptase is an important target
for chemotherapeutic agents against the AIDS disease. 4, 5, 6, 7-Tetrahydro-5 …
for chemotherapeutic agents against the AIDS disease. 4, 5, 6, 7-Tetrahydro-5 …
Use of artificial neural networks in a QSAR study of anti-HIV activity for a large group of HEPT derivatives
M Jalali-Heravi, F Parastar - Journal of chemical information and …, 2000 - ACS Publications
Anti-HIV activity for a set of 107 inhibitors of the HIV-1 reverse transcriptase, derivatives of 1-
[2-hydroxyethoxy) methyl]-6-(phenylthio) thymine (HEPT), was modeled with the aid of …
[2-hydroxyethoxy) methyl]-6-(phenylthio) thymine (HEPT), was modeled with the aid of …
Development of linear and nonlinear predictive QSAR models and their external validation using molecular similarity principle for anti-HIV indolyl aryl sulfones
K Roy, AS Mandal - Journal of enzyme inhibition and medicinal …, 2008 - Taylor & Francis
Quantitative structure–activity relationship (QSAR) studies have been carried out on indolyl
aryl sulfones, a class of novel HIV-1 non-nucleoside reverse transcriptase inhibitors, using …
aryl sulfones, a class of novel HIV-1 non-nucleoside reverse transcriptase inhibitors, using …
[HTML][HTML] QSAR models for prediction study of HIV protease inhibitors using support vector machines, neural networks and multiple linear regression
R Darnag, B Minaoui, M Fakir - Arabian Journal of Chemistry, 2017 - Elsevier
Support vector machines (SVM) represent one of the most promising Machine Learning (ML)
tools that can be applied to develop a predictive quantitative structure–activity relationship …
tools that can be applied to develop a predictive quantitative structure–activity relationship …
Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization
Application of HIV-1 protease inhibitors (as an anti-HIV regimen) may serve as an attractive
strategy for anti-HIV drug development. Several investigations suggest that there is a crucial …
strategy for anti-HIV drug development. Several investigations suggest that there is a crucial …
A ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection
A Speck-Planche, VV Kleandrova, F Luan… - Molecular …, 2012 - pubs.rsc.org
Acquired immunodeficiency syndrome (AIDS) is a dangerous disease, which damages the
immune system cells to the point that the immune system can no longer fight against other …
immune system cells to the point that the immune system can no longer fight against other …
Hybrid-genetic algorithm based descriptor optimization and QSAR models for predicting the biological activity of Tipranavir analogs for HIV protease inhibition
AS Reddy, S Kumar, R Garg - Journal of Molecular Graphics and Modelling, 2010 - Elsevier
The prediction of biological activity of a chemical compound from its structural features plays
an important role in drug design. In this paper, we discuss the quantitative structure activity …
an important role in drug design. In this paper, we discuss the quantitative structure activity …