(Q30903074)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12653537%20AND%20SRC:MED&resulttype=core&format=json

1 November 2019

title

A consensus neural network-based technique for discriminating soluble and poorly soluble compounds (English)

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1 November 2019

1

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1 November 2019

author name string

Benjamin G Tehan

2

1 reference

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1 November 2019

Emanuela Gancia

3

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1 November 2019

Brian D Hudson

4

1 reference

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1 November 2019

Martyn G Ford

5

1 reference

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1 November 2019

David J Livingstone

6

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1 November 2019

David C Whitley

7

1 reference

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1 November 2019

Will R Pitt

8

1 reference

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1 November 2019

publication date

1 March 2003

1 reference

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Journal of Chemical Information and Computer Sciences

1 November 2019

published in

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volume

43

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1 November 2019

issue

2

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1 November 2019

page(s)

674-679

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Molecular identification number for substructure searches

1 November 2019

cites work

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Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology

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A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

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The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

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Strategic Pooling of Compounds for High-Throughput Screening

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Prediction of drug solubility from Monte Carlo simulations

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Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling

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Prediction of aqueous solubility of heteroatom-containing organic compounds from molecular structure

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Combinatorial Chemistry and Mass Spectrometry in the 21st Century Drug Discovery Laboratory

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Virtual screening—an overview

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7 December 2024

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Estimation of the aqueous solubility of organic molecules by the group contribution approach

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7 December 2024

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Development of an automatic estimation system for both the partition coefficient and aqueous solubility

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7 December 2024

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Prediction of drug solubility from structure

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7 December 2024

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Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity

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Predicting human safety: screening and computational approaches

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7 December 2024

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Reactive compounds and in vitro false positives in HTS

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7 December 2024

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Prediction of intestinal absorption and blood-brain barrier penetration by computational methods

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7 December 2024

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

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7 December 2024

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Miniaturized HTS technologies - uHTS.

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7 December 2024

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Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networks.

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7 December 2024

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7 December 2024

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Prediction of aqueous solubility coefficients of polychlorinated biphenyls by use of computer-calculated molecular properties

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7 December 2024

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Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets

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7 December 2024

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7 December 2024

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Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility

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Molecular properties that influence the oral bioavailability of drug candidates

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Identifiers

DOI

10.1021/CI0202741

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12653537%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/ManallackTGHFLWP03

1 November 2019

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference