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Literature DB >> 21936582

Matched molecular pairs as a medicinal chemistry tool.

Ed Griffen¹, Andrew G Leach, Graeme R Robb, Daniel J Warner.

Abstract

Mesh：

Substances：

Year: 2011 PMID： 21936582 DOI： 10.1021/jm200452d

Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446

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49 in total

1. The impact of data integrity on decision making in early lead discovery.

Authors: Bernd Beck; Daniel Seeliger; Jan M Kriegl
Journal: J Comput Aided Mol Des Date: 2015-09-26 Impact factor: 3.686

2. Automated molecule editing in molecular design.

Authors: Peter W Kenny; Carlos A Montanari; Igor M Prokopczyk; Fernanda A Sala; Geraldo Rodrigues Sartori
Journal: J Comput Aided Mol Des Date: 2013-09-04 Impact factor: 3.686

Review 3. Chemical predictive modelling to improve compound quality.

Authors: John G Cumming; Andrew M Davis; Sorel Muresan; Markus Haeberlein; Hongming Chen
Journal: Nat Rev Drug Discov Date: 2013-12 Impact factor: 84.694

4. Structure-Promiscuity Relationship Puzzles-Extensively Assayed Analogs with Large Differences in Target Annotations.

Authors: Ye Hu; Swarit Jasial; Erik Gilberg; Jürgen Bajorath
Journal: AAPS J Date: 2017-03-06 Impact factor: 4.009

5. 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

Matched molecular pairs as a medicinal chemistry tool.

1. The impact of data integrity on decision making in early lead discovery.

2. Automated molecule editing in molecular design.

Review 3. Chemical predictive modelling to improve compound quality.

4. Structure-Promiscuity Relationship Puzzles-Extensively Assayed Analogs with Large Differences in Target Annotations.

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

6. Blowing a breath of fresh share on data.

7. Why Decreasing Lipophilicity Alone Is Often Not a Reliable Strategy for Extending IV Half-life.

8. Dark chemical matter in public screening assays and derivation of target hypotheses.

9. Tracing compound pathways using chemical space networks.

10. Structure-based predictions of activity cliffs.