Literature DB >> 15279602

Predicting synthetic accessibility: application in drug discovery and development.

J C Baber1, M Feher.   

Abstract

The estimation and use of synthetic accessibility in the drug discovery process is discussed. A distinction is drawn between synthetic feasibility and accessibility and the practical uses of an accessibility score are examined. Various techniques used in the estimation of accessibility are described and their utility and potential accuracy compared.

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Year:  2004        PMID： 15279602     DOI： 10.2174/1389557043403765

Source DB:  PubMed          Journal:  Mini Rev Med Chem        ISSN： 1389-5575            Impact factor:   3.862


  12 in total

1.  CONFIRM: connecting fragments found in receptor molecules.

Authors:  David C Thompson; R Aldrin Denny; Ramaswamy Nilakantan; Christine Humblet; Diane Joseph-McCarthy; Eric Feyfant
Journal:  J Comput Aided Mol Des       Date:  2008-07-09       Impact factor: 3.686

2.  Second-generation de novo design: a view from a medicinal chemist perspective.

Authors:  Andrea Zaliani; Krisztina Boda; Thomas Seidel; Achim Herwig; Christof H Schwab; Johann Gasteiger; Holger Claussen; Christian Lemmen; Jörg Degen; Juri Pärn; Matthias Rarey
Journal:  J Comput Aided Mol Des       Date:  2009-06-27       Impact factor: 3.686

3.  AllChem: generating and searching 10(20) synthetically accessible structures.

Authors:  Richard D Cramer; Farhad Soltanshahi; Robert Jilek; Brian Campbell
Journal:  J Comput Aided Mol Des       Date:  2007-01-26       Impact factor: 4.179

4.  Structure and reaction based evaluation of synthetic accessibility.

Authors:  Krisztina Boda; Thomas Seidel; Johann Gasteiger
Journal:  J Comput Aided Mol Des       Date:  2007-02-09       Impact factor: 4.179

5.  Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions.

Authors:  Peter Ertl; Ansgar Schuffenhauer
Journal:  J Cheminform       Date:  2009-06-10       Impact factor: 5.514

6.  Nonpher: computational method for design of hard-to-synthesize structures.

Authors:  Milan Voršilák; Daniel Svozil
Journal:  J Cheminform       Date:  2017-03-20       Impact factor: 5.514

7.  Exposing the Molecular Screening Method of Indonesian Natural Products Derivate as Drug Candidates for Cervical Cancer.

Authors:  Usman Sumo Friend Tambunan; Arli Aditya Parikesit; Mochammad Arfin Fardiansyah Nasution; Amalia Hapsari; Djati Kerami
Journal:  Iran J Pharm Res       Date:  2017       Impact factor: 1.696

8.  Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens.

Authors:  Ridla Bakri; Arli Aditya Parikesit; Cipta Prio Satriyanto; Djati Kerami; Usman Sumo Friend Tambunan
Journal:  Adv Bioinformatics       Date:  2014-08-24

Review 9.  Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics.

Authors:  Yoshifumi Fukunishi; Tadaaki Mashimo; Kiyotaka Misoo; Yoshinori Wakabayashi; Toshiaki Miyaki; Seiji Ohta; Mayu Nakamura; Kazuyoshi Ikeda
Journal:  Curr Pharm Des       Date:  2016       Impact factor: 3.116

10.  Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.

Authors:  Thomas J Struble; Juan C Alvarez; Scott P Brown; Milan Chytil; Justin Cisar; Renee L DesJarlais; Ola Engkvist; Scott A Frank; Daniel R Greve; Daniel J Griffin; Xinjun Hou; Jeffrey W Johannes; Constantine Kreatsoulas; Brian Lahue; Miriam Mathea; Georg Mogk; Christos A Nicolaou; Andrew D Palmer; Daniel J Price; Richard I Robinson; Sebastian Salentin; Li Xing; Tommi Jaakkola; William H Green; Regina Barzilay; Connor W Coley; Klavs F Jensen
Journal:  J Med Chem       Date:  2020-04-14       Impact factor: 7.446
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