SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability-Reference-Cited by-同舟云学术

SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability

Published:2015-09-04 Issue:9 Volume:55 Page:1824-1835
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Chevillard F.¹,Kolb P.¹

Affiliation:

1. Department of Pharmaceutical Chemistry, Philipps-University Marburg, 35032 Marburg, Germany

Funder

Deutsche Forschungsgemeinschaft

Hessisches Ministerium für Wissenschaft und Kunst

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.5b00203

Reference51 articles.

1. TOPOLOGICAL MAPPING OF ORGANIC MOLECULES

2. Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery

3. Multi-Objective Molecular De Novo Design by Adaptive Fragment Prioritization

4. The synthesis machine

5. Synthesis of many different types of organic small molecules using one automated process

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