Chemical transformations that yield compounds with distinct activity profiles.

about

Activity profile sequences: a concept to account for the progression of compound activity in target space and to extract SAR information from analogue series with multiple target annotations.In silico applications of bioisosterism in contemporary medicinal chemistry practice

P2860

Q34066813-98FB31D4-2D96-4C99-B10A-AF4842C66854 Q56916006-C3FC9408-334A-44C7-9E8B-B8334D492D1B

P2860

Chemical transformations that yield compounds with distinct activity profiles.

Item

http://www.wikidata.org/entity/Q39510488

description

2011 nî lūn-bûn

@nan

2011年の論文

@ja

2011年論文

@yue

2011年論文

@zh-hant

2011年論文

@zh-hk

2011年論文

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2011年論文

@zh-tw

2011年论文

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2011年论文

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2011年论文

@zh-cn

name

Chemical transformations that yield compounds with distinct activity profiles.

@en

Chemical transformations that yield compounds with distinct activity profiles.

@nl

type

Item

label

Chemical transformations that yield compounds with distinct activity profiles.

@en

Chemical transformations that yield compounds with distinct activity profiles.

@nl

prefLabel

Chemical transformations that yield compounds with distinct activity profiles.

@en

Chemical transformations that yield compounds with distinct activity profiles.

@nl

P1476

Chemical transformations that yield compounds with distinct activity profiles.

@en

P2093

Ye Hu

http://www.w3.org/2001/XMLSchema#string

P2860

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

Navigating structure–activity landscapes

Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets.

Statistical analysis of the effects of common chemical substituents on ligand potency.

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

Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.

Design of multitarget activity landscapes that capture hierarchical activity cliff distributions.

Chemical substitutions that introduce activity cliffs across different compound classes and biological targets.

Rationalizing lead optimization by associating quantitative relevance with molecular structure modification.

P304

523-527

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P31

scholarly article

P356

10.1021/ML2000609

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Jürgen Bajorath

P577

2011-04-13T00:00:00Z

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P698

24900343

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P932

4018055

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Chemical transformations that yield compounds with distinct activity profiles.

about

P2860

P2860

Chemical transformations that yield compounds with distinct activity profiles.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932