(Q27065423)

English

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

scientific article

Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics

In more languages

default for all languages

No label defined

No description defined

edit

Statements

0 references

1 reference

Europe PubMed Central

title

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics (English)

0 references

0 references

0 references

0 references

Chemistry Development Kit

0 references

0 references

1 reference

1

0 references

Rajarshi Guha

series ordinal

5

0 references

Egon Willighagen

series ordinal

6

affiliation

Radboud University Nijmegen

0 references

Stefan Kuhn

series ordinal

3

0 references

Matteo Floris

object named as

Matteo Floris

series ordinal

4

0 references

Christian Hoppe

series ordinal

2

object named as

Christian Hoppe

0 references

language of work or name

English

0 references

publication date

1 June 2006

0 references

number of pages

10

1 reference

reference URL

http://www.eurekaselect.com/56225/article

full work available at URL

https://cdk.github.io/cdk-paper-2/

file format

HyperText Markup Language

0 references

https://repository.ubn.ru.nl/bitstream/handle/2066/35445/35445_aut.pdf

file format

PDF

0 references

published in

Current Pharmaceutical Design

0 references

volume

12

0 references

issue

17

0 references

page(s)

2111-2120

0 references

price

58±0 United States dollar

1 reference

reference URL

http://www.eurekaselect.com/56225/article

cites work

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

has goal

extends the cited work

1 reference

stated in

CiteULike CiTO annotations

retrieved

2022

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

0 references

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

0 references

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

has goal

uses method in cited work

0 references

Molecular identification number for substructure searches

0 references

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

0 references

3D-modelling and Prediction by WHIM Descriptors. Part 5. Theory Development and Chemical Meaning of WHIM Descriptors

0 references

New molecular descriptors for 2D and 3D structures. Theory

0 references

Metric Validation and the Receptor-Relevant Subspace Concept

0 references

Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

0 references

Distinguishing Atom Differences in a Molecular Graph Shape Index

0 references

Shape Indexes of Orders One and Three from Molecular Graphs

0 references

A Shape Index from Molecular Graphs

0 references

Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds

0 references

Graph theory and molecular orbitals. XII. Acyclic polyenes

0 references

Correlation of Heats of Isomerization, and Differences in Heats of Vaporization of Isomers, Among the Paraffin Hydrocarbons

0 references

Molecular Connectivity VII: Specific Treatment of Heteroatoms

0 references

Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia

0 references

A New Atom-Additive Method for Calculating Partition Coefficients

0 references

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

0 references

Prediction of 1H NMR Chemical Shifts Using Neural Networks

0 references

PROSHIFT: Protein chemical shift prediction using artificial neural networks

0 references

Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators

0 references

JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures

0 references

NMRShiftDB - Constructing a Free Chemical Information System with Open-Source Components

0 references

Classification of Chemical Compounds to Support Complex Queries in a Pathway Database

0 references

NMRShiftDB – compound identification and structure elucidation support through a free community-built web database

0 references

Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation

0 references

SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry

0 references

Structural Determination of Paraffin Boiling Points

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2174/138161206777585274

Structural bioinformatic approaches to the discovery of new antimycobacterial drugs

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2174/138161206777585274

A systematic approach to simulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2174/138161206777585274

Can an apple a day keep the doctor away?

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2174/138161206777585274

(Q27065423)

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)