biomedreg.eu
Intranet - BIOMEDREG - ULTM Olomouc
http://biomedreg.eu/cs/intranet
Historické a regionální souvislosti. Molekulární podstata nemocí a molekulární cíle. Chemická biologie a experimentální terapeutika. Biomarkery - identifikace a validace. Publikace (impaktované časopisy) (Jimp). Prototyp, metodika, užitný a prům. vzor. Nabídka témat závěrečných prací. Odkazy a vazby projektu. Pro vstup do intranetu je třeba znát přihlašovací jméno a heslo. Do intranetu vstupte zde. Pro plnění dat vstupte zde. Realizace Studio R3D, s.r.o.
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/pages/pred_online.php
IMTM, Palacky University. Prediction of properties of chemical compounds and structural interpretation of QSAR models. Property prediction for chemical compounds based on their 2D structures. Implemented universal approach of QSAR models interpretation - calculation of contribution of arbitrary set of atoms on the selected property. The tool was available at this page. However the backend server is disabled due to technical reasons.
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/pages/present.php
IMTM, Palacky University. Lectures Computer-aided drug development: structure and ligand-based approaches in University of Silesia (Katowice, Poland). Strategies in drug discovery - download pdf. Ligand-receptor interactions - download pdf. Pharmacophore modeling - download pdf. Molecular docking - download pdf. Lectures "Machine learning methods with applications in R" (English/Russian mix from different authors). K-Nearest neighbors. E. Varlamova. download pptx. Methods and Applications of Computationa...
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/pages/rf.php
IMTM, Palacky University. Random Forest is a relatively young but powerful statistical method. It proved its applicability to QSAR tasks solutions. Random Forest have a lot of advantages which allow to effectively analyzing huge datasets:. Fast learning algorithm,. Internal procedure of estimation of predictive ability,. Robust to over-fitting and noise in data. More detailed description of Random Forest method and examples of QSAR tasks solved by this method can be found in a short presentation here.
icci.science
International Cannabis and Cannabinoids Institute
http://icci.science/en
Products & Services. Blog and press releases. Jachymova 26/2 CZ 110 00 Prague 1 Czech Republic info@icci.science. Americans for Safe Access. US-based organization that aims to ensure safe and legal access to cannabis for therapeutic uses and research. The Patient Association for Cannabis Treatment. International Medical Cannabis Patients Coalition. International Call for Standardization of Data in Cannabis Research and Adverse Event Reporting. GMP/GAP/GLP Cannabis Product Standards. ICCI will need skille...
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/index.php
IMTM, Palacky University. This web-site was created to share some developments in chemoinformatics tools which can be useful for chemoinformaticians as well as for medicinal chemists and other specialists. It contains tools and approaches which were developed in collaboration with my colleagues or by myself. QSAR modeling of biological and physico-chemical properties of single compounds and their mixtures and QSAR modeling of chemical reactions. Simplex representation of molecular structure (SiRMS).
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/pages/pubs.php
IMTM, Palacky University. Only written in English). 1 V E Kuz'min, A. G. Artemenko, E. N. Muratov, L. N. Ognichenko, A. I. Hromov, A. V. Liahovskij and P. G. Polischuk. The Hierarchic Informational Technology for QSAR Investigations. Molecular Design of Antiviral Compounds In National Institute of Allergy and Infectious Diseases, National Institutes of Health: Frontiers in Research. V S Georgiev, K. A. Western and J. J. McGowan, Eds. Humana Press: Totowa, 2008; Vol. 1, pp 163-177. 4 N Y Golovenko, I....
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/pages/rtutorial.php
IMTM, Palacky University. Краткий курс "Введение в R и моделирование с R" (Pavel Polishchuk). Short course "Introdiction to R and modeling with R" (in Russian). Введение. Типы и структуры данных. Векторизация. Преобразование типов и структур данных. Индексы. Работа с файлами. Создание собственных функций. Манипуляции с данными. Примеры работы с графикой. Семейство функций apply. Моделирование с использованием пакета caret. Подготовка данных и построение моделей. Графические возможности R с пакетом ggplot2.
qsar4u.com
QSAR modeling software and virtual screening
http://www.qsar4u.com/pages/sirms.php
IMTM, Palacky University. Simplex representation of molecular structure (SiRMS):. Tetratomic fragments of fixed composition, structure, chirality and symmetry. Number of identical simplexes in a molecule. Example of 2D simplexes generation for formic acid. Vertexes in simplexes can be labeled by different atomic properties like lipophilcity, partial charge, donor/acceptor of H-bond, etc;. Simplexes describe individual compounds, multi-fragment compounds and mixtures of chemical compounds;.
