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Lecture of Prof. J. Gasteiger


Extraction of the Maximum 3D Common Substructure from a Set of Ligands

Pharmacophore

Estrogen Mimetica

GAMMA

Previous Similar Work

Genetic Algorithms

Encoding of Individuals

3D Structure Generator CORINA

Access to CORINA

Criteria for Atom Superpostition

Petra

Encoding of Individuals

Optimization Criteria

Pareto Optimality

Mutation Operator

Mutation Operator

Creep and Crunch

Directed Tweak

Genetic Algorithms

Rigid and Flexible Superposition

Pareto Optimality

Comparison: Rigid and Flexible Superpositions

Pareto Optimality

Angiotensin-II Antagonists

Superposition of Several Molecules

Cytochrom P450c17 (Human) Inhibitors

Multiple Superposition of Three P450c17 (Human) Inhibitors

Pareto Optimality

Multiple Superposition of Three P450c17 (Human) Inhibitors

Pareto Optimality

Major Characteristics of Procedure (1)

Major Characteristics of Procedure (2)

Further Information

Acknowledgments