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Findings of the Second Challenge to Predict Aqueous Solubility ꝉ Dedicated to the memory of Anton J. Hopfinger and Oleg A. Raevsky (Q98468540)

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scientific article published on 14 August 2020

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English	Findings of the Second Challenge to Predict Aqueous Solubility ꝉ Dedicated to the memory of Anton J. Hopfinger and Oleg A. Raevsky	scientific article published on 14 August 2020

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scholarly article

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

Findings of the Second Challenge to Predict Aqueous Solubility ꝉ Dedicated to the memory of Anton J. Hopfinger and Oleg A. Raevsky (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

author name string

Antonio Llinas

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

Ioana Oprisiu

2

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

Alex Avdeef

3

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

publication date

14 August 2020

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

language of work or name

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Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma.

1 reference

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2 January 2022

Can human experts predict solubility better than computers?

1 reference

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Improved understanding of aqueous solubility modeling through topological data analysis

1 reference

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3 January 2022

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

1 reference

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ESOL: estimating aqueous solubility directly from molecular structure

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

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Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules

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1 reference

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Why are some properties more difficult to predict than others? A study of QSPR models of solubility, melting point, and Log P.

1 reference

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Predicting intrinsic aqueous solubility by a thermodynamic cycle.

1 reference

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FreeSolv: a database of experimental and calculated hydration free energies, with input files

1 reference

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30 November 2025

Identifiers

10.1021/ACS.JCIM.0C00701

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32794744%20AND%20SRC:MED&resulttype=core&format=json

18 August 2020

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