xMaP—An Interpretable Alignment-Free Four-Dimensional Quantitative Structure–Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles-Reference-Cited by-同舟云学术

xMaP—An Interpretable Alignment-Free Four-Dimensional Quantitative Structure–Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles

Published:2018-01-02 Issue:1 Volume:58 Page:165-181
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Dreher Jan¹,Scheiber Josef¹,Stiefl Nikolaus¹,Baumann Knut¹^ORCID

Affiliation:

1. Institute of Medicinal and Pharmaceutical Chemistry, University of Technology Braunschweig, Beethovenstrasse 55, D 38106 Braunschweig, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00419

Reference99 articles.

1. Molecular Descriptors for Chemoinformatics

2. Virtual Computational Chemistry Laboratory – Design and Description

3. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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