(Q30976760)

27 June 2017

title

The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data (English)

1 reference

high-throughput screening

27 June 2017

main subject

0 references

1 reference

Harper G

1

1 reference

27 June 2017

Bravi GS

2

1 reference

27 June 2017

Pickett SD

3

1 reference

27 June 2017

Hussain J

4

1 reference

27 June 2017

Green DV

5

1 reference

27 June 2017

publication date

1 November 2004

1 reference

Journal of Chemical Information and Computer Sciences

27 June 2017

published in

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volume

44

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27 June 2017

issue

6

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27 June 2017

page(s)

2145-2156

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Enhancing the hit-to-lead properties of lead optimization libraries

27 June 2017

cites work

1 reference

https://opencitations.net/index/api/v1/citations/10.1021/CI990261W

COCI

reference URL

Further development of reduced graphs for identifying bioactive compounds

1 October 2024

1 reference

https://opencitations.net/index/api/v1/citations/10.1021/CI0255937

COCI

reference URL

https://opencitations.net/index/api/v1/citations/10.1021/CI025592E

1 October 2024

2 references

7 December 2024

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

The properties of known drugs. 1. Molecular frameworks

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Algorithms on Strings, Trees, and Sequences

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Cascade Reactions in Quantitative Solid-State Syntheses

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Feature trees: a new molecular similarity measure based on tree matching

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Inverse agonist properties of N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2, 4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide HCl (SR141716A) and 1-(2-chlorophenyl)-4-cyano-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxyl ic acid phenylamide (CP-272871)

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI049860F

Identifiers

DOI

10.1021/CI049860F

1 reference

journals/jcisd/HarperBPHG04

27 June 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference