Title: Programs for chemoinformatics and computational medicinal chemistry

Type Dataset Hu, Ye, Bajorath, Jürgen (2014): Programs for chemoinformatics and computational medicinal chemistry. Zenodo. Dataset. https://zenodo.org/record/8451

Authors: Hu, Ye (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ; Bajorath, Jürgen (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Programs provided herein are a part of a freely available database of annotated compound data sets and software tools developed in our laboratory for chemoinformatics and computational medicinal chemistry. The original release is described in the following article: Hu Y, Bajorath J: Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications [v1; ref status: indexed, http://f1000r.es/Mu9krs] F1000Research 2012; 1:11 (doi: 10.12688/f1000research.1-11.v1). The updated version containing the data provided herein will be described in a forthcoming data note in F1000Research.

More information

• DOI: 10.5281/zenodo.8451

Dates

• Publication date: 2014
• Issued: February 28, 2014

Rights

• https://creativecommons.org/publicdomain/zero/1.0/legalcode Creative Commons Zero v1.0 Universal
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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