'Comparative molecular field analysis' presentation slideshows

Comparative molecular field analysis - PowerPoint PPT Presentation

Q uantitative S tructure- A ctivity R elationships ( QSAR ) Co mparative M olecular F ield A nalysis ( CoMFA )

Q uantitative S tructure- A ctivity R elationships ( QSAR ) Co mparative M olecular F ield A nalysis ( CoMFA )

Q uantitative S tructure- A ctivity R elationships ( QSAR ) Co mparative M olecular F ield A nalysis ( CoMFA ). Gijs Schaftenaar. Outline. Introduction Structures and activities Analysis techniques: Free-Wilson, Hansch Regression techniques: PCA, PLS

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878 views • 37 slides
Quantative Structure-Activity Relationships

Quantative Structure-Activity Relationships

QSAR. Quantative Structure-Activity Relationships. Why QSAR?. The number of compounds required for synthesis in order to place 10 different groups in 4 positions of benzene ring is 10 4

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806 views • 35 slides
Computational Techniques in Support of Drug Discovery

Computational Techniques in Support of Drug Discovery

Computational Techniques in Support of Drug Discovery. Jeffrey Wolbach, Ph. D. October 2, 2002. Who Is Tripos?. Discovery Software & Methods Research. Core Science & Technology. Software Consulting Services. Chemistry Products & Services. Discovery Research & Process Implementation.

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575 views • 31 slides
Data mining of toxic chemicals & database-based toxicity prediction

Data mining of toxic chemicals & database-based toxicity prediction

Data mining of toxic chemicals & database-based toxicity prediction. Jiansuo Wang & Luhua Lai. Institute of Physical Chemistry, Peking University. P. R. China. Our goal: to introduce risk assessment of chemicals in the early stage of drug design. Candidates generated by computer aid.

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387 views • 29 slides

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