Literature DB >> 21755989

Lessons learned from molecular scaffold analysis.

Ye Hu1, Dagmar Stumpfe, Jürgen Bajorath.   

Abstract

Mesh:

Substances:

Year:  2011        PMID: 21755989     DOI: 10.1021/ci200179y

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


× No keyword cloud information.
  19 in total

1.  Structural and Activity Profile Relationships Between Drug Scaffolds.

Authors:  Ye Hu; Jürgen Bajorath
Journal:  AAPS J       Date:  2015-02-20       Impact factor: 4.009

2.  Molecular Scaffold Hopping via Holistic Molecular Representation.

Authors:  Francesca Grisoni; Gisbert Schneider
Journal:  Methods Mol Biol       Date:  2021

3.  Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

Authors:  Dilyana Dimova; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2017-06-16       Impact factor: 3.686

4.  Systematic assessment of scaffold distances in ChEMBL: prioritization of compound data sets for scaffold hopping analysis in virtual screening.

Authors:  Ruifang Li; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2012-09-13       Impact factor: 3.686

5.  Rationalizing structure and target relationships between current drugs.

Authors:  Ye Hu; Jürgen Bajorath
Journal:  AAPS J       Date:  2012-07-24       Impact factor: 4.009

6.  Oxygen-containing fragments in natural products.

Authors:  Zoya Titarenko; Natalya Vasilevich; Vladimir Zernov; Michael Kirpichenok; Dmitry Genis
Journal:  J Comput Aided Mol Des       Date:  2012-12-28       Impact factor: 3.686

7.  Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.

Authors:  Jacob D Durrant; Kathryn E Carlson; Teresa A Martin; Tavina L Offutt; Christopher G Mayne; John A Katzenellenbogen; Rommie E Amaro
Journal:  J Chem Inf Model       Date:  2015-09-04       Impact factor: 4.956

8.  "Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool.

Authors:  Candida Manelfi; Marica Gemei; Carmine Talarico; Carmen Cerchia; Anna Fava; Filippo Lunghini; Andrea Rosario Beccari
Journal:  J Cheminform       Date:  2021-07-23       Impact factor: 5.514

9.  Synthesis of skeletally diverse alkaloid-like molecules: exploitation of metathesis substrates assembled from triplets of building blocks.

Authors:  Sushil K Maurya; Mark Dow; Stuart Warriner; Adam Nelson
Journal:  Beilstein J Org Chem       Date:  2013-04-22       Impact factor: 2.883

10.  PhIN: A Protein Pharmacology Interaction Network Database.

Authors:  Z Wang; J Li; R Dang; L Liang; J Lin
Journal:  CPT Pharmacometrics Syst Pharmacol       Date:  2015-03-18
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.