AUTOSTERE: Systematic Search for Scaffold Replacement Opportunities within Structural Databases-Reference-Cited by-同舟云学术

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AUTOSTERE: Systematic Search for Scaffold Replacement Opportunities within Structural Databases

Published:2021-04-08 Issue:4 Volume:61 Page:1778-1788
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Heal Jonathan R.¹^ORCID,Sheridan Joseph M.¹,Kulkarni Manisha²,Liptrott Neill³,Egan Deirdre³,Khoo Saye³,Matthews Ian²,Hamilton William D. O.¹

Affiliation:

1. RxCelerate Limited, Dorothy Hodgkin Building, Babraham Research Campus, Babraham, Cambridge CB22 3FH, United Kingdom

2. ChemOvation Limited, 49 Arrivato Plaza, Hall Street, Saint Helens WA10 1GH, United Kingdom

3. Pharmacology Research Laboratories, University of Liverpool, Block H, First Floor, 70 Pembroke Place, Liverpool L69 3GF, United Kingdom

Funder

Prosarix Ltd

ChemOvation Ltd.

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.0c01261

Reference20 articles.

1. “Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

2. Chemical space and biology

3. CAVEAT: A program to facilitate the design of organic molecules

4. Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations

5. ReCore

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