SwissBioisostere: a database of molecular replacements for ligand design. (Q42430081)

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18 February 2020

title

SwissBioisostere: a database of molecular replacements for ligand design (English)

1 reference

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18 February 2020

0 references

4

1 reference

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18 February 2020

author name string

Matthias Wirth

series ordinal

1

1 reference

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18 February 2020

Vincent Zoete

series ordinal

2

1 reference

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18 February 2020

Olivier Michielin

series ordinal

3

1 reference

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18 February 2020

publication date

17 November 2012

1 reference

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18 February 2020

published in

Nucleic Acids Research

1 reference

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18 February 2020

volume

41

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18 February 2020

issue

Database issue

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18 February 2020

page(s)

D1137-43

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Creative Commons Attribution-NonCommercial 3.0 Unported

18 February 2020

copyright license

start time

4 October 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Public domain databases for medicinal chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

ChEMBL: a large-scale bioactivity database for drug discovery

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

Matched molecular pairs as a medicinal chemistry tool

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

SwissDock, a protein-small molecule docking web service based on EADock DSS

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

Synopsis of some recent tactical application of bioisosteres in drug design

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

WizePairZ: a novel algorithm to identify, encode, and exploit matched molecular pairs with unspecified cores in medicinal chemistry

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

How to improve R&D productivity: the pharmaceutical industry's grand challenge

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

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

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

The Structure of Atoms and the Octet Theory of Valence

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

Bioisosterism: a useful strategy for molecular modification and drug design

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

28 May 2018

has goal

extends the cited work

2 references

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28 May 2018

CiteULike CiTO annotations

Bioisosterism: A Rational Approach in Drug Design

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

The properties of known drugs. 1. Molecular frameworks

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

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

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3531158

16 August 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKS1059

Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FNAR%2FGKS1059

A new model for calculating atomic charges in molecules

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FNAR%2FGKS1059

Calculation of intersubstituent similarity using R-group descriptors

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23161688

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23161688

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1093/NAR/GKS1059

1 reference

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18 February 2020

DBLP publication ID

journals/nar/WirthZMS13

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

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18 February 2020

1 reference

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