(Q34160151)

31 July 2017

title

Reoptimization of MDL keys for use in drug discovery (English)

1 reference

31 July 2017

1 reference

0 references

4

James G Nourse

1 reference

31 July 2017

Joseph L Durant

1

1 reference

31 July 2017

Burton A Leland

series ordinal

2

1 reference

31 July 2017

Douglas R Henry

series ordinal

3

1 reference

31 July 2017

publication date

1 November 2002

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Journal of Chemical Information and Computer Sciences

31 July 2017

published in

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volume

42

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31 July 2017

issue

6

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31 July 2017

page(s)

1273-1280

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An information-intensive approach to the molecular pharmacology of cancer.

31 July 2017

cites work

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

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

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25 May 2024

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

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Designing Combinatorial Library Mixtures Using a Genetic Algorithm

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https://opencitations.net/index/api/v1/references/10.1021/CI010132R

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25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Predicting ligand binding to proteins by affinity fingerprinting

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25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Is there a difference between leads and drugs? A historical perspective

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25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Stigmata: an algorithm to determine structural commonalities in diverse datasets

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25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Flexsim-X: a method for the detection of molecules with similar biological activity

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25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Statistical Investigation into the Structural Complementarity of Natural Products and Synthetic Compounds

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Mini-fingerprints detect similar activity of receptor ligands previously recognized only by three-dimensional pharmacophore-based methods

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Bit-String Methods for Selective Compound Acquisition

1 reference

25 May 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010132R

Identifiers

DOI

10.1021/CI010132R

1 reference

journals/jcisd/DurantLHN02

31 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

release_w5cmn55iufe7ler3ywlfihjytu

28 January 2021

Fatcat ID

1 reference

https://api.fatcat.wiki/v0/release/w5cmn55iufe7ler3ywlfihjytu

Fatcat

reference URL

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference