Results 61 to 70 of about 1,970,027 (229)

Adapting the Interrelated Two-way Clustering method for Quantitative Structure-Activity Relationship (QSAR) Modeling of a Diverse Set of Chemical Compounds

open access: yes, 2013
Interrelated Two-way Clustering (ITC) is an unsupervised clustering method developed to divide samples into two groups in gene expression data obtained through microarrays, selecting important genes simultaneously in the process.
Basak, Subhash C.   +2 more
core   +1 more source

Protective activity of aromatic amines and imines against oxidative nerve cell death [PDF]

open access: yes, 2001
Oxidative stress is a widespread phenomenon in the pathology of neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis.
Behl, Christian   +3 more
core   +1 more source

Biological activity, quantitative structure–activity relationship analysis, and molecular docking of xanthone derivatives as anticancer drugs

open access: yesDrug Design, Development and Therapy, 2018
Isnatin Miladiyah,1,2 Jumina Jumina,3 Sofia Mubarika Haryana,4 Mustofa Mustofa5 1Pharmacology Department, Faculty of Medicine, Islamic University of Indonesia, 2Doctorate Program of Medical Science and Health, Faculty of Medicine, 3Chemistry Department,
Miladiyah I   +3 more
doaj  

A Quantitative Structure–Activity Relationship Study of the Anabolic Activity of Ecdysteroids

open access: yesComputation
Phytoecdysteroids represent a class of naturally occurring substances known for their diverse biological functions, particularly their strong ability to stimulate protein anabolism.
Durbek Usmanov   +4 more
doaj   +1 more source

Simple Structure-Based Approach for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease [PDF]

open access: yes, 2012
poster abstractBeta-site amyloid precursor protein cleaving enzyme-1 (BACE1) is a target of interest for treating patients with Alzheimer’s disease (AD).
Boyd, Donald B., Nastase, Anthony F.
core   +1 more source

Quantitative structure‐activity relationship and molecular docking revealed a potency of anti‐hepatitis C virus drugs against human corona viruses

open access: yesJournal of Medical Virology, 2017
A number of human coronaviruses (HCoVs) were reported in the last and present centuries. Some outbreaks of which (eg, SARS and MERS CoVs) caused the mortality of hundreds of people worldwide. The problem of finding a potent drug against HCoV strains lies
Abdo A. Elfiky   +2 more
semanticscholar   +1 more source

Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and artificial intelligence models [PDF]

open access: yes, 2015
[Abstract] The molecular information encoding into molecular descriptors is the first step into in silico Chemoinformatics methods in Drug Design. The Machine Learning methods are a complex solution to find prediction models for specific biological ...
García, Rafael   +4 more
core   +2 more sources

Evaluation of the availability and applicability of computational approaches in the safety assessment of nanomaterials: Final report of the Nanocomput project [PDF]

open access: yes, 2017
This is the final report of the Nanocomput project, the main aims of which were to review the current status of computational methods that are potentially useful for predicting the properties of engineered nanomaterials, and to assess their applicability
ASCHBERGER KARIN   +9 more
core   +1 more source

Cinnamic Derivatives as Antitubercular Agents: Characterization by Quantitative Structure–Activity Relationship Studies

open access: yesMolecules, 2020
Tuberculosis, caused by Mycobacterium tuberculosis (Mtb), remains one of the top ten causes of death worldwide and the main cause of mortality from a single infectious agent.
Cátia Teixeira   +4 more
doaj   +1 more source

Prediction of Terpenoid Toxicity Based on a Quantitative Structure–Activity Relationship Model

open access: yesFoods, 2019
Terpenoids, including monoterpenoids (C10), norisoprenoids (C13), and sesquiterpenoids (C15), constitute a large group of plant-derived naturally occurring secondary metabolites with highly diverse chemical structures.
R. Perestrelo   +3 more
semanticscholar   +1 more source

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