Virtual Computational Chemistry Laboratory – Design and Description (Q27136404)

6

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Roberto Todeschini

3

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Igor V. Tetko

1

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author name string

Andrea Mauri

4

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David Livingstone

5

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Vladimir A. Palyulin

7

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Eugene V. Radchenko

8

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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

Journal of Computer - Aided Molecular Design

12

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publication date

June 2005

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published in

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-005-8694-y

volume

19

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issue

6

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page(s)

453-463

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exact match

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cites work

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

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Distant collaboration in drug discovery: the LINK3D project.

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Neural network studies. 4. Introduction to associative neural networks.

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

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Representation and use of chemistry in the global electronic age.

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

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

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

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

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

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

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The WWW as a Tool to Obtain Molecular Parameters

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

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

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4 April 2022

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

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4 April 2022

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

Associative Neural Network

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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

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Handbook of Molecular Descriptors

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Identifiers

DOI

10.1007/S10822-005-8694-Y

1 reference

Consolidated OpenCitations Corpus – April 2017

journals/jcamd/TetkoGTMLEPRZMTP05

1469494

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1049842937

0 references

1469494

1 reference

Consolidated OpenCitations Corpus – April 2017

Consolidated OpenCitations Corpus – April 2017

1 reference