Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology
Latest Publications

TOTAL DOCUMENTS

16

(FIVE YEARS 0)

H-INDEX

4

(FIVE YEARS 0)

Published By Chapman And Hall/CRC

9781420082920, 9781420082999

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Structure Enumeration and Sampling

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c8 ◽

2010 ◽

pp. 233-267 ◽

Author(s):

Markus Meringer

Keyword(s):

Structure Enumeration

Download Full-text

Predictive Quantitative Structure–Activity Relationships Modeling

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c6 ◽

2010 ◽

pp. 173-210 ◽

Author(s):

Alexander Tropsha ◽

Alexander Golbraikh

Keyword(s):

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Three-Dimensional (3D) Molecular Representations

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c3 ◽

2010 ◽

pp. 65-87

Author(s):

Egon Willighagen

Keyword(s):

Three Dimensional

Download Full-text

Machine Learning–Based Bioinformatics Algorithms

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c14 ◽

2010 ◽

pp. 383-398 ◽

Author(s):

Shawn Martin

Keyword(s):

Machine Learning

Download Full-text

Computer-Aided Molecular Design

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c10 ◽

2010 ◽

pp. 295-315 ◽

Author(s):

Diana Roe

Keyword(s):

Molecular Design ◽

Download Full-text

Predictive Quantitative Structure–Activity Relationships Modeling

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c7 ◽

2010 ◽

pp. 211-232 ◽

Author(s):

Alexander Tropsha ◽

Alexander Golbraikh

Keyword(s):

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Molecular Descriptors

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c4 ◽

2010 ◽

pp. 89-143

Author(s):

Nikolas Fechner ◽

Georg Hinselmann ◽

Jörg Wegner

Keyword(s):

Molecular Descriptors

Download Full-text

Algorithms to Store and Retrieve Two-Dimensional (2D) Chemical Structures

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c2 ◽

2010 ◽

pp. 37-64

Author(s):

Milind Misra ◽

Jean-Loup Faulon

Keyword(s):

Two Dimensional ◽

Chemical Structures

Download Full-text

Ligand- and Structure-Based Virtual Screening

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c5 ◽

2010 ◽

pp. 145-171

Author(s):

Robert Clark ◽

Diana Roe

Keyword(s):

Virtual Screening

Download Full-text

Using Systems Biology Techniques to Determine Metabolic Fluxes and Metabolite Pool Sizes

Handbook of Chemoinformatics Algorithms - Chapman & Hall/CRC Mathematical & Computational Biology ◽

10.1201/9781420082999-c15 ◽

2010 ◽

pp. 399-422

Author(s):

Fangping Mu ◽

Amy Bauer ◽

James Faeder ◽

William Hlavacek

Keyword(s):

Systems Biology ◽

Metabolic Fluxes ◽

Metabolite Pool ◽

Download Full-text