(Q27065420)

English

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

scientific article

In more languages

edit

Statements

instance of

scholarly article

0 references

title

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints (English)

0 references

0 references

0 references

0 references

Chun Wei Yap

1

0 references

language of work or name

English

0 references

publication date

17 December 2010

0 references

published in

Journal of Computational Chemistry

1 reference

stated in

PubMed

volume

32

0 references

page(s)

1466-1474

0 references

issue

7

0 references

describes a project that uses

Chemistry Development Kit

0 references

cites work

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

has goal

uses method in cited work

1 reference

stated in

CiteULike CiTO annotations

retrieved

2022

Chemical Descriptors Library (CDL): a generic, open source software library for chemical informatics

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

VolSurf: a new tool for the pharmacokinetic optimization of lead compounds

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

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

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Reoptimization of MDL keys for use in drug discovery

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

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

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Molecular Descriptors for Chemoinformatics

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Deriving the 3D structure of organic molecules from their infrared spectra

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

MODEL-molecular descriptor lab: a web-based server for computing structural and physicochemical features of compounds.

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Partition Coefficients and Biological Activities

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Handbook of Molecular Descriptors

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Metric Validation and the Receptor-Relevant Subspace Concept

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Quantum-Chemical Descriptors in QSAR/QSPR Studies

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 1. Theory of the Novel 3D Molecular Descriptors

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Chemical substructures that enrich for biological activity

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.21707

Identifiers

DOI

10.1002/JCC.21707

1 reference

stated in

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

DBLP Dataset 2021-01-02

retrieved

28 January 2021

Fatcat ID

release_4vuac2ccmzdhficbskyhqcd2aq

0 references

OpenCitations bibliographic resource ID

976914

1 reference

stated in

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

976914

ResearchGate publication ID

50598672

0 references

(Q27065420)

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

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)