(Q39069371)

8 September 2017

title

Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents (English)

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Maria Natália Dias Soeiro Cordeiro

8 September 2017

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Alejandro Speck-Planche

object named as

Alejandro Speck-Planche

series ordinal

1

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object named as

Maria Natália Dias Soeiro Cordeiro

series ordinal

2

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publication date

1 January 2014

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Future Medicinal Chemistry

8 September 2017

published in

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8 September 2017

volume

6

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8 September 2017

issue

18

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8 September 2017

page(s)

2013-2028

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Incidence and characterisation of methicillin-resistant Staphylococcus aureus (MRSA) from nasal colonisation in participants attending a cattle veterinary conference in the UK

8 September 2017

cites work

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Incidence, characteristics, and outcomes of patients with bone and joint infections due to community-associated methicillin-resistant Staphylococcus aureus: a systematic review

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Differences between macrolide-resistant and -susceptible Streptococcus pyogenes: importance of clonal properties in addition to antibiotic consumption

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.136

Management of multidrug-resistant enterococcal infections

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Synthesis and study of antibacterial activities of antibacterial glycopeptide antibiotics conjugated with benzoxaboroles

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Large-scale screening of a targeted Enterococcus faecalis mutant library identifies envelope fitness factors.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Efficacy, nephrotoxicity and ototoxicity of aminoglycosides, mathematically modelled for modelling-supported therapeutic drug monitoring.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Model for high-throughput screening of drug immunotoxicity--study of the anti-microbial G1 over peritoneal macrophages using flow cytometry.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Model for high-throughput screening of multitarget drugs in chemical neurosciences: synthesis, assay, and theoretic study of rasagiline carbamates.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Simultaneous virtual prediction of anti-Escherichia coli activities and ADMET profiles: A chemoinformatic complementary approach for high-throughput screening

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

New insights toward the discovery of antibacterial agents: multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Evolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

ChEMBL: a large-scale bioactivity database for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Mining the ChEMBL database: an efficient chemoinformatics workflow for assembling an ion channel-focused screening library

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

An integrated in silico analysis of drug-binding to human serum albumin.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Computer-aided knowledge generation for understanding skin sensitization mechanisms: the TOPS-MODE approach

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

In silico studies toward the discovery of new anti-HIV nucleoside compounds through the use of TOPS-MODE and 2D/3D connectivity indices. 2. Purine derivatives

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Small-sample precision of ROC-related estimates

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

A comparison of MCC and CEN error measures in multi-class prediction

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

ANN multiscale model of anti-HIV drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

A novel approach for the virtual screening and rational design of anticancer compounds.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D/3D connectivity indices. 1. Pyrimidyl derivatives.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Fragment-based QSAR model toward the selection of versatile anti-sarcoma leads

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

In vitro antibacterial activities of JNJ-Q2, a new broad-spectrum fluoroquinolone

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Efficacy of a new fluoroquinolone, JNJ-Q2, in murine models of Staphylococcus aureus and Streptococcus pneumoniae skin, respiratory, and systemic infections

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Summary of Pharmacokinetics and Tissue Distribution of a Broad-Spectrum Fluoroquinolone, JNJ-Q2.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Antistaphylococcal activities of the new fluoroquinolone JNJ-Q2.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Molecular Descriptors for Chemoinformatics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

Chemoinformatics in Lead Discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.136

21 January 2018

Identifiers

DOI

10.4155/FMC.14.136

1 reference

8 September 2017

1 reference