Web Tool Aims to Help Parents Identify Signs of Autism

ASHA Leader ◽  
2015 ◽  
Vol 20 (6) ◽  
pp. 8-8
Keyword(s):  
Web Tool

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

2019 ◽  
Author(s):  
Devendra K. Dhaked ◽  
Wolf Ihlenfeldt ◽  
Hitesh Patel ◽  
Marc Nicklaus
Keyword(s):  
Small Molecule ◽  
Comprehensive Treatment ◽  
Experimental Literature ◽  
Web Tool ◽  
Valence Tautomerism ◽  
Standard Version ◽  
Small Molecule Databases

<p>We have collected 86 different transforms of tautomeric interconversions. Out of those, 54 are for prototropic (non-ring-chain) tautomerism; 21 for ring-chain tautomerism; and 11 for valence tautomerism. The majority of these rules have been extracted from experimental literature. Twenty rules – covering the most well-known types of tautomerism such as keto-enol tautomerism – were taken from the default handling of tautomerism by the chemoinformatics toolkit CACTVS. The rules were analyzed against nine differerent databases totaling over 400 million (non-unique) structures as to their occurrence rates, mutual overlap in coverage, and recapitulation of the rules’ enumerated tautomer sets by InChI V.1.05, both in InChI’s Standard and a Non-Standard version with the increased tautomer-handling options 15T and KET turned on. These results and the background of this study are discussed in the context of the IUPAC InChI Project tasked with the redesign of handling of tautomerism for an InChI version 2. Applying the rules presented in this paper would approximately triple the number of compounds in typical small-molecule databases that would be affected by tautomeric interconversion by InChI V2. A web tool has been created to test these rules at https://cactus.nci.nih.gov/tautomerizer.</p>

scholarly journals The RiBaTox web tool: selecting methods to assess and manage the diverse problem of chemical pollution in surface waters

2019 ◽  
Vol 31 (1) ◽  
Author(s):  
Kees J. M. Kramer ◽  
Frank Sleeuwaert ◽  
Guy Engelen ◽  
Christin Müller ◽  
Werner Brack ◽  
...  
Keyword(s):  
Water Quality ◽  
Surface Waters ◽  
Complex Problem ◽  
End Users ◽  
Water Bodies ◽  
Chemical Pollution ◽  
The Novel ◽  
Web Tool ◽  
Novel Approaches ◽  
Local Water

Abstract Chemical pollution of water bodies is a complex problem around the globe. When described by the extremes of the range of problem definitions, water bodies can be chemically polluted by a single compound that is emitted from a point source or an incidental spill, or by chronic diffuse emissions from local and upstream land uses. The resulting mixture exposures can vary in space and time, e.g. due to the use of pesticides in the crop growing season. The environmental management objectives are commonly to protect and restore surface waters against human influences. Currently, chemical pollution is globally judged for a selected set of compounds, by judging each of these individually in comparison with protective environmental quality standards. Research has provided a novel assessment paradigm (solution-focused risk assessment) and novel data, measurement methods and models to improve on current practices. Their adoption and application require establishing novel linkages between the diverse problem definitions and the novel approaches. That would assist water quality professionals to select the most effective option or options to protect and restore water quality. The present paper introduces the RiBaTox (River Basin Specific Toxicants assessment and management) web tool. It consists of short descriptions of the novel approaches (made available as Additional file 1) and a decision tree for end-users to select those. The overview of novel approaches collated in RiBaTox is relevant for end-users ranging from local water quality experts up till strategic policy developers. Although RiBaTox was developed in the context of European water quality problems, the methods provided by RiBaTox are relevant for users from (inter)national to local scales. This paper is part of a series of Policy Briefs from the EU-FP7 project SOLUTIONS (http://www.solutions-project.eu), which provide backgrounds on chemical pollution of surface waters and policy practices and proposed improvements.

scholarly journals PepMapper: A Collaborative Web Tool for Mapping Epitopes from Affinity-Selected Peptides

PLoS ONE ◽  
2012 ◽  
Vol 7 (5) ◽  
pp. e37869 ◽  
Author(s):  
Wenhan Chen ◽  
William W. Guo ◽  
Yanxin Huang ◽  
Zhiqiang Ma
Keyword(s):  
Web Tool

scholarly journals A Web Tool for Age–Period–Cohort Analysis of Cancer Incidence and Mortality Rates

2014 ◽  
Vol 23 (11) ◽  
pp. 2296-2302 ◽  
Author(s):  
Philip S. Rosenberg ◽  
David P. Check ◽  
William F. Anderson
Keyword(s):  
Cancer Incidence ◽  
Cohort Analysis ◽  
Mortality Rates ◽  
Web Tool ◽  
Incidence And Mortality

scholarly journals Erratum to: InteGO2: a web tool for measuring and visualizing gene semantic similarities using Gene Ontology

BMC Genomics ◽  
2017 ◽  
Vol 18 (1) ◽  
Author(s):  
Jiajie Peng ◽  
Hongxiang Li ◽  
Yongzhuang Liu ◽  
Liran Juan ◽  
Qinghua Jiang ◽  
...  
Keyword(s):  
Gene Ontology ◽  
Web Tool

scholarly journals OfftargetFinder: a web tool for species-specific RNAi design

2015 ◽  
Vol 32 (8) ◽  
pp. 1232-1234 ◽  
Author(s):  
R.T. Good ◽  
T. Varghese ◽  
J.F. Golz ◽  
D.A. Russell ◽  
A. Papanicolaou ◽  
...  
Keyword(s):  
Web Tool ◽  
Species Specific

scholarly journals SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps

2016 ◽  
Vol 35 (13) ◽  
pp. 2286-2293 ◽  
Author(s):  
Laura Falivene ◽  
Raffaele Credendino ◽  
Albert Poater ◽  
Andrea Petta ◽  
Luigi Serra ◽  
...  
Keyword(s):  
Web Tool

scholarly journals BAGET 2.0: an updated web tool for the effortless retrieval of prokaryotic gene context and sequence

2021 ◽  
Author(s):  
Benjamin Hepp ◽  
Violette Da Cunha ◽  
Florence Lorieux ◽  
Jacques Oberto
Keyword(s):  
Gene Sequence ◽  
Single Gene ◽  
Daily Basis ◽  
Web Tool ◽  
Web Based ◽  
Internet Explorer ◽  
Prokaryotic Genomes ◽  
Exploration Tool ◽  
Genome Browsers ◽  
Archaeal Gene

Abstract Motivation The retrieval of a single gene sequence and context from completely sequenced bacterial and archaeal genomes constitutes an intimidating task for the wet bench biologist. Existing web-based genome browsers are either too complex for routine use or only provide a subset of the available prokaryotic genomes. Results We have developed BAGET 2.0 (Bacterial and Archaeal Gene Exploration Tool), an updated web service granting access in just three mouse clicks to the sequence and synteny of any gene from completely sequenced bacteria and archaea. User-provided annotated genomes can be processed as well. BAGET 2.0 relies on a local database updated on a daily basis. Availability and implementation BAGET 2.0 befits all current browsers such as Chrome, Firefox, Edge, Opera and Safari. Internet Explorer 11 is supported. BAGET 2.0 is freely accessible at https://archaea.i2bc.paris-saclay.fr/baget/

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