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Virtual Computational Chemistry Laboratory – Design and Description (Q27136404)

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scientific article (publication date: June 2005)

Virtual computational chemistry laboratory--design and description.

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English	Virtual Computational Chemistry Laboratory – Design and Description	scientific article (publication date: June 2005)	Virtual computational chemistry laboratory--design and description.

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scholarly article

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Virtual Computational Chemistry Laboratory – Design and Description (English)

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computational chemistry

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1 reference

based on heuristic

inferred from title

Johann Gasteiger

2

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6

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Roberto Todeschini

3

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1

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Vladimir Palyulin

7

object named as

Vladimir A. Palyulin

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Eugene Radchenko

8

object named as

Eugene V. Radchenko

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author name string

Andrea Mauri

4

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David Livingstone

5

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Nikolay S. Zefirov

9

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Alexander S. Makarenko

10

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Vsevolod Yu. Tanchuk

11

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Volodymyr V. Prokopenko

12

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publication date

June 2005

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language of work or name

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Journal of Computer - Aided Molecular Design

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19

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6

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453-463

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

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https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

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Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

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https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

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Distant collaboration in drug discovery: the LINK3D project

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https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

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Unsupervised forward selection: a method for eliminating redundant variables

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Neural network studies. 4. Introduction to associative neural networks

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

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Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

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Representation and use of chemistry in the global electronic age.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

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Estimation of aqueous solubility of chemical compounds using E-state indices

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Atom/fragment contribution method for estimating octanol-water partition coefficients

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Polynomial neural network for linear and non-linear model selection in quantitative-structure activity relationship studies on the internet

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

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The WWW as a Tool to Obtain Molecular Parameters

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Internet software for the calculation of the lipophilicity and aqueous solubility of chemical compounds.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16231203

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/S10822-005-8694-Y

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/S10822-005-8694-Y

Associative Neural Network

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/S10822-005-8694-Y

Computer assisted neurophysiological analysis of cell assemblies activity

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/S10822-005-8694-Y

Handbook of Molecular Descriptors

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/S10822-005-8694-Y

Identifiers

10.1007/S10822-005-8694-Y

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

DBLP publication ID

journals/jcamd/TetkoGTMLEPRZMTP05

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

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OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

PubMed publication ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

ResearchGate publication ID

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