The SAMPL6 challenge on predicting octanol–water partition coefficients from EC-RISM theory

to related objects

Location: Deutsche Nationalbibliothek Frankfurt am Main

ISSN: 1573-4951

Extent: Online-Ressource

Language: Englisch

Notes: online resource.

Bibliographic citation: The SAMPL6 challenge on predicting octanol–water partition coefficients from EC-RISM theory ; volume:34 ; number:4 ; day:24 ; month:1 ; year:2020 ; pages:453-461 ; date:4.2020
Journal of computer aided molecular design ; 34, Heft 4 (24.1.2020), 453-461, 4.2020

Creator: Tielker, Nicolas
Tomazic, Daniel
Eberlein, Lukas
Güssregen, Stefan
Kast, Stefan M.

Contributor: SpringerLink (Online service)

DOI: 10.1007/s10822-020-00283-4

URN: urn:nbn:de:101:1-2020062123343268559602

Rights: Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 14.08.2025, 11:00 AM CEST

Data provider

This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.

Show original at data provider

Associated

Tielker, Nicolas
Tomazic, Daniel
Eberlein, Lukas
Güssregen, Stefan
Kast, Stefan M.
SpringerLink (Online service)

Other Objects (12)

SAMPL7 physical property prediction from EC-RISM theory

SAMPL7 physical property prediction from EC-RISM theory

Graffiti | Streetart

RisM.

Graffiti | Streetart

RiSM

Graffiti | Streetart

"RiSM

Food matrices : impact on odorant partition coefficients and flavour perception

Hochschulschrift

Food matrices : impact on odorant partition coefficients and flavour perception

EC: Challenge from the East

Artikel

EC: Challenge from the East

Microsegregation Model with Local Equilibrium Partition Coefficients During Solidification of Steels

Microsegregation Model with Local Equilibrium Partition Coefficients During Solidification of Steels

RISM-Bibliothekssigel : Gesamtverzeichnis

Verzeichnis

RISM-Bibliothekssigel : Gesamtverzeichnis

Data integration and knowledge transfer: application to the tissue: air partition coefficients

Data integration and knowledge transfer: application to the tissue: air partition coefficients

Blinded predictions of distribution coefficients in the SAMPL5 challenge

Blinded predictions of distribution coefficients in the SAMPL5 challenge

Prediction of n-octanol/water partition coefficients and acidity constants (pK a ) in the SAMPL7 blind challenge with the IEFPCM-MST model

Prediction of n-octanol/water partition coefficients and acidity constants (pK a ) in the SAMPL7 blind challenge with the IEFPCM-MST model

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

SAMPL7 physical property prediction from EC-RISM theory

SAMPL7 physical property prediction from EC-RISM theory

Graffiti | Streetart

RisM.

Graffiti | Streetart

RiSM

Graffiti | Streetart

"RiSM

Food matrices : impact on odorant partition coefficients and flavour perception

Hochschulschrift

Food matrices : impact on odorant partition coefficients and flavour perception

EC: Challenge from the East

Artikel

EC: Challenge from the East

Microsegregation Model with Local Equilibrium Partition Coefficients During Solidification of Steels

Microsegregation Model with Local Equilibrium Partition Coefficients During Solidification of Steels

RISM-Bibliothekssigel : Gesamtverzeichnis

Verzeichnis

RISM-Bibliothekssigel : Gesamtverzeichnis

Data integration and knowledge transfer: application to the tissue: air partition coefficients

Data integration and knowledge transfer: application to the tissue: air partition coefficients

Blinded predictions of distribution coefficients in the SAMPL5 challenge

Blinded predictions of distribution coefficients in the SAMPL5 challenge

Prediction of n-octanol/water partition coefficients and acidity constants (pK a ) in the SAMPL7 blind challenge with the IEFPCM-MST model

Prediction of n-octanol/water partition coefficients and acidity constants (pK a ) in the SAMPL7 blind challenge with the IEFPCM-MST model

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

SAMPL7 physical property prediction from EC-RISM theory

SAMPL7 physical property prediction from EC-RISM theory

Graffiti | Streetart

RisM.

Graffiti | Streetart

RiSM

Graffiti | Streetart

"RiSM

Food matrices : impact on odorant partition coefficients and flavour perception

Hochschulschrift

Food matrices : impact on odorant partition coefficients and flavour perception

EC: Challenge from the East

Artikel

EC: Challenge from the East

Microsegregation Model with Local Equilibrium Partition Coefficients During Solidification of Steels

Microsegregation Model with Local Equilibrium Partition Coefficients During Solidification of Steels

RISM-Bibliothekssigel : Gesamtverzeichnis

Verzeichnis

RISM-Bibliothekssigel : Gesamtverzeichnis

Data integration and knowledge transfer: application to the tissue: air partition coefficients

Data integration and knowledge transfer: application to the tissue: air partition coefficients

Blinded predictions of distribution coefficients in the SAMPL5 challenge

Blinded predictions of distribution coefficients in the SAMPL5 challenge

Prediction of n-octanol/water partition coefficients and acidity constants (pK a ) in the SAMPL7 blind challenge with the IEFPCM-MST model

Prediction of n-octanol/water partition coefficients and acidity constants (pK a ) in the SAMPL7 blind challenge with the IEFPCM-MST model

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

Cultural heritage institutions wishing to register will find more information here.

Fields marked * need to be filled in.

Username*

Please enter your username

Email*

Please enter your email address

Please do not fill this field

First name

Last name

Password*

Please enter your password

Confirm password*

Please enter the same password

I have read the terms of use and the privacy policy for the collection of personal data and accept them. *

This field is required.

I would like to subscribe to the newsletter of the Deutsche Digitale Bibliothek. See newsletter subscription info.

Account created

Your "My DDB" account has been successfully created. Before you can log in to your account, you must click the confirmation link in the message we just sent to the email address you provided.