QSAR - Quantitative Structure Activity Relationship

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Lecture Notes, Tutorials

3D QSAR Methods
Phase and Catalyst Compared - Format: PDF - [e]

Drug Design
Introduction: QSAR and Drug Design. Network Science Corporation - [e]

Nonlinear QSAR and 3D QSAR
Lecture notes. University of Heidelberg - Format: PDF - [e]

QSAR
Lecture notes in medicinal chemistry. SFSU, USA - Format: PDF - [e]

QSAR
Lecture notes. University of Insubria, Italy - Format: PDF - [e]

QSAR Methodology
An introduction. Network Science Corporation - [e]

QSAR Parameters
Lecture notes. University of Heidelberg - Format: PDF - [e]

Statistical concepts in QSAR
Lecture notes - Format: PDF - [e]

Validation and Predictivity of QSAR Models
Lecture notes. University of Heidelberg - Format: PDF - [e]

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Special Information

Calcium Channel Antagonists
A New QSAR Algorithm Combining Principal Component. Analysis with a Neural Network: Application to Calcium Channel Antagonists. Network Science Corporation - [e]

CoMFA Models
Adding Chemical Information to CoMFA Models with Alternative 3D QSAR Fields. Network Science Corporation - [e]

Kernel Methods
... for QSAR and Virtual Screening - Format: PDF - [e]

Neural Networks
Interpretative Neural Networks for QSAR. Network Science Corporation - [e]

QSAR and 3D QSAR in Drug Design I
Methodology - [e]

QSAR and 3D QSAR in Drug Design II
Applications and problems - [e]

QSAR Challenges
QSAR Challenges and Opportunities: A Commentary. Network Science Corporation - [e]

QuaSAR-Binary
A New Method for the Analysis of High Throughput Screening Data. Network Science Corporation - [e]

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Historical Facts and Documents

History
... of Quantitative Structure-Activity Relationships. Wiley - Format: PDF - [e]

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Software and Programs

APEX-3D
... is an expert system developed to represent, elucidate, and utilize knowledge on structure-activity relationships. NetSci - [e]

CODESSA™
... is an advanced, fully featured Quantitative Structure/Activity Relationship (QSAR) program that ties information from AMPAC™ and other Quantum Mechanics programs with experimental data. Semichem, USA - [e]

GOLPE
GOLPE (Generating Optimal Linear PLS Estimations) is the state of the art chemometric toolbox for 3D QSAR. Multivariate Infometric Analysis S.r.l., Italy - [e]

QSAR Application Toolbox
... is a software application intended to be used by governments, chemical industry and other stakeholders in filling gaps in (eco)toxicity data needed for assessing the hazards of chemicals. The Toolbox incorporates information and tools from various sources into a logical workflow. Crucial to this workflow is grouping chemicals into chemical categories. QECD - [e]

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Journals

QSAR & Combinatorial Science
... is the international forum for high-quality results on all aspects of computer-assisted methods and combinatorial techniques including cheminformatics, bioinformatics, chemometrics, virtual screening, and molecular modeling. Wiley-Interscience - [e]

SAR and QSAR in Environmental Research
... is an international journal welcoming papers on the fundamental and practical aspects of the structure-activity and structure-property relationships in the fields of environmental science, agrochemistry, toxicology, pharmacology and applied chemistry. Taylor & Francis, UK - [e]

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Research facilities and departments

Italy
QSAR research unit. University of Insubria - [e]

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Organisations

Cheminformatics and QSAR Society
... of scientists who are involved in Cheminformatics, and/or investigate quantitative structure-activity relationships in medicinal, agricultural, or environmental chemistry - [e]

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