Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective-Reference-Cited by-同舟云学术

Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective

Published:2017-08-23 Issue:6 Volume:13 Page:599-606
ISSN:1860-7179
Container-title:ChemMedChem
language:en
Short-container-title:ChemMedChem

Author:

Withnall Michael¹^ORCID,Chen Hongming²^ORCID,Tetko Igor V.¹³⁴^ORCID

Affiliation:

1. Helmholtz Zentrum München-German Research Center for Environmental Health, GmbH; Institute of Structural Biology; Neuherberg Germany

2. External Sciences, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg; Mölndal 43183 Sweden

3. BIGCHEM GmbH; Ingolstädter Landstraße 1, b. 60w 85764 Neuherberg Germany

4. Institute of Structural Biology, Helmholtz Zentrum München-German Research Center for Environmental Health, GmbH; Ingolstädter Landstraße 1 85764 Neuherberg Germany

Funder

H2020 Excellent Science

Publisher

Wiley

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics,Molecular Medicine,Drug Discovery,Biochemistry,Pharmacology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/cmdc.201700303/fullpdf

Reference39 articles.

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2. Estimation of the aqueous solubility I: Application to organic nonelectrolytes

3. Group contribution methods to estimate water solubility of organic chemicals

4. Improved method for estimating water solubility from octanol/water partition coefficient

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