Chemoinformatics : concepts, methods, and tools for drug discovery, edited by Jürgen Bajorath, (electronic book)

Resource Information

The instance Chemoinformatics : concepts, methods, and tools for drug discovery, edited by Jürgen Bajorath, (electronic book) represents a material embodiment of a distinct intellectual or artistic creation found in University of Liverpool. This resource is a combination of several types including: Instance, Electronic.

Image

http://covers.openlibrary.org/b/isbn/9786610360024-M.jpg?default=false

Label

Chemoinformatics : concepts, methods, and tools for drug discovery, edited by Jürgen Bajorath, (electronic book)

Title remainder

concepts, methods, and tools for drug discovery

Medium

electronic book

Statement of responsibility

edited by Jürgen Bajorath

Instantiates

• Chemoinformatics : concepts, methods, and tools for drug discovery

Publication

• Totowa, N.J., Humana Press, 2004

Bibliography note

Includes bibliographical references and index

Carrier category

online resource

Carrier category code

• cr

Carrier MARC source

rdacarrier

Content category

text

Content type code

• txt

Content type MARC source

rdacontent

Contents

Molecular similarity measures / G.M. Maggiora and V. Shanmugasundaram -- Evaluation of molecular similarity and molecular diversity methods using biological activity data / P. Willett -- A web-based chemoinformatics system for drug discovery / S.D. Bembenek ... [et al.] -- Application of chemoinformatics to high-throughput screening: Practical considerations / C.N. Parker and S.K. Schreyer -- Strategies for the identification and generation of informative compound sets / M.S. Lajiness and V. Shanmugasundaram -- Methods for applying the quantitative structure-activity relationship paradigm / E.X. Esposito, A.J. Hopfinger and J.D. Madura -- D-logp: An alignment-free 3d description of local lipophilicity for qsar studies / J. Gomar ... [et al.] -- Derivation and applications of molecular descriptors based on approximate surface area / P. Labute -- Cell-based partitioning / L. Xue, F.L. Stahura and J. Bajorath -- Partitioning in binary-transformed chemical descriptor spaces / J.W. Godden and J. Bajorath -- Comparison of methods based on diversity and similarity for molecule selection and the analysis of drug discovery data / R.L. Lam and W.J. Welch -- Using recursive partitioning analysis to evaluate compound selection methods / S.S. Young and D.M. Hawkins -- Designing combinatorial libraries optimized on multiple objectives / V.J. Gillet -- Approaches to target class combinatorial library design / D. Schnur ... [et al.] -- Simulated annealing: An effective stochastic optimization approach to computational library design / W. Zheng -- Genetic algorithms for classification of olfactory stimulants / B.K. Lavine ... [et al.] -- How to describe chirality and conformational flexibility / G.M. Crippen -- Novel scoring methods in virtual ligand screening / D. Pick -- Prediction of drug-like molecular properties: Modeling cytochrome p450 interactions / M. Jalaie ... [et al.]

Control code

SPR55698143

Dimensions

unknown

Extent

1 online resource (xiii, 524 p.)

Form of item

online

Isbn

9786610360024

Media category

computer

Media MARC source

rdamedia

Media type code

• c

Other physical details

ill.

Record ID

b2587606

Specific material designation

remote