Literature DB >> 18792903

On the art of compiling and using 'drug-like' chemical fragment spaces.

Jörg Degen1, Christof Wegscheid-Gerlach, Andrea Zaliani, Matthias Rarey.   

Abstract

Mesh:

Substances:

Year:  2008        PMID: 18792903     DOI: 10.1002/cmdc.200800178

Source DB:  PubMed          Journal:  ChemMedChem        ISSN: 1860-7179            Impact factor:   3.466


× No keyword cloud information.
  29 in total

Review 1.  Computational methods in drug discovery.

Authors:  Gregory Sliwoski; Sandeepkumar Kothiwale; Jens Meiler; Edward W Lowe
Journal:  Pharmacol Rev       Date:  2013-12-31       Impact factor: 25.468

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.  De novo design by pharmacophore-based searches in fragment spaces.

Authors:  Tobias Lippert; Tanja Schulz-Gasch; Olivier Roche; Wolfgang Guba; Matthias Rarey
Journal:  J Comput Aided Mol Des       Date:  2011-09-16       Impact factor: 3.686

Review 4.  De novo molecular drug design benchmarking.

Authors:  Lauren L Grant; Clarissa S Sit
Journal:  RSC Med Chem       Date:  2021-06-03

5.  FAME: Fragment-based Conditional Molecular Generation for Phenotypic Drug Discovery.

Authors:  Thai-Hoang Pham; Lei Xie; Ping Zhang
Journal:  Proc SIAM Int Conf Data Min       Date:  2022

6.  Multi-Objective Drug Design Based on Graph-Fragment Molecular Representation and Deep Evolutionary Learning.

Authors:  Muhetaer Mukaidaisi; Andrew Vu; Karl Grantham; Alain Tchagang; Yifeng Li
Journal:  Front Pharmacol       Date:  2022-07-04       Impact factor: 5.988

7.  RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo Design.

Authors:  Gian Marco Ghiandoni; Michael J Bodkin; Beining Chen; Dimitar Hristozov; James E A Wallace; James Webster; Valerie J Gillet
Journal:  Mol Inform       Date:  2021-11-08       Impact factor: 4.050

8.  molBLOCKS: decomposing small molecule sets and uncovering enriched fragments.

Authors:  Dario Ghersi; Mona Singh
Journal:  Bioinformatics       Date:  2014-03-28       Impact factor: 6.937

9.  Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning.

Authors:  Duc Duy Nguyen; Kaifu Gao; Jiahui Chen; Rui Wang; Guo-Wei Wei
Journal:  Chem Sci       Date:  2020-09-30       Impact factor: 9.825

10.  Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2.

Authors:  Hans-Christian Ehrlich; Matthias Rarey
Journal:  J Cheminform       Date:  2012-07-31       Impact factor: 5.514

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.