UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement

Journal of chemical information and modeling, 2013-01, Vol.53 (1), p.201-209

2013

Volltextzugriff (PDF)

Nonadditivity Analysis

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.4034-4042

Kramer, Christian

2019

Volltextzugriff (PDF)

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets

Journal of chemical information and modeling, 2018-05, Vol.58 (5), p.902-910

2018

Volltextzugriff (PDF)

Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets

Journal of chemical information and modeling, 2010-11, Vol.50 (11), p.1961-1969

2010

Volltextzugriff (PDF)

Matched Molecular Series Analysis for ADME Property Prediction

Journal of chemical information and modeling, 2020-06, Vol.60 (6), p.2903-2914

2020

Volltextzugriff (PDF)

Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors

Journal of chemical information and modeling, 2011-03, Vol.51 (3), p.707-720

2011

Volltextzugriff (PDF)

The Playbooks of Medicinal Chemistry Design Moves

Journal of chemical information and modeling, 2021-02, Vol.61 (2), p.729-742

2021

Volltextzugriff (PDF)

Three Descriptor Model Sets a High Standard for the CSAR-NRC HiQ Benchmark

Journal of chemical information and modeling, 2011-09, Vol.51 (9), p.2139-2145

2011

Volltextzugriff (PDF)

Strong Nonadditivity as a Key Structure–Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.483-494

2015

Volltextzugriff (PDF)

Quality Issues with Public Domain Chemogenomics Data

Molecular informatics, 2013-12, Vol.32 (11-12), p.898-905

2013

Volltextzugriff (PDF)

Deriving Static Atomic Multipoles from the Electrostatic Potential

Journal of chemical information and modeling, 2013-12, Vol.53 (12), p.3410-3417

2013

Volltextzugriff (PDF)

Matched Molecular Series: Measuring SAR Similarity

Journal of chemical information and modeling, 2017-05, Vol.57 (5), p.1187-1196

2017

Volltextzugriff (PDF)

Binding Pose Flip Explained via Enthalpic and Entropic Contributions

Journal of chemical information and modeling, 2017-02, Vol.57 (2), p.345-354

2017

Volltextzugriff (PDF)

A Surface-Integral Model for Log P OW

Journal of chemical information and modeling, 2010-03, Vol.50 (3), p.429-436

2010

Volltextzugriff (PDF)

Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier

Journal of chemical information and modeling, 2010-03, Vol.50 (3), p.404-414

2010

Volltextzugriff (PDF)

Protease Inhibitors in View of Peptide Substrate Databases

Journal of chemical information and modeling, 2016-06, Vol.56 (6), p.1228-1235

2016

Volltextzugriff (PDF)

Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical F-Values for Multiple Linear Regression

Journal of Chemical Information and Modeling, 2009-01, Vol.49 (1), p.28-34

2009

Volltextzugriff (PDF)

1 – 17 von 17

Menü

Weitere Dienste

Einstellungen

MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement

Nonadditivity Analysis

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets

Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets

Matched Molecular Series Analysis for ADME Property Prediction

Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors

The Playbooks of Medicinal Chemistry Design Moves

Three Descriptor Model Sets a High Standard for the CSAR-NRC HiQ Benchmark

Strong Nonadditivity as a Key Structure–Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts

Quality Issues with Public Domain Chemogenomics Data

Deriving Static Atomic Multipoles from the Electrostatic Potential

Matched Molecular Series: Measuring SAR Similarity

Binding Pose Flip Explained via Enthalpic and Entropic Contributions

A Surface-Integral Model for Log P OW

Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier

Protease Inhibitors in View of Peptide Substrate Databases

Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical F-Values for Multiple Linear Regression

Aktive Filter

Suchergebnisse filtern