Chemalot statistics

To access cutting-edge analytics on consensus tools, life science contexts and associated fields, you will need to subscribe to our premium service.

Subscribe
info

Citations per year

Citations chart
info

Popular tool citations

chevron_left Workflow systems chevron_right
Popular tools chart
info

Tool usage distribution map

Tool usage distribution map
info

Associated diseases

Associated diseases

Chemalot specifications

Information


Unique identifier OMICS_19313
Name Chemalot
Software type Toolkit/Suite
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages Java
License Apache License version 2.0
Computer skills Advanced
Stability Stable
Requirements
quacpac, szybki, gaussian, bmin, moebatch
Maintained Yes

Subtools


  • AEREAExporter
  • dataLoader
  • g2sdf
  • gOpty
  • qTorsionMultiplexer
  • QTorsionProfileGenerator
  • RModelManager
  • sdf2DAlign
  • sdf2g
  • sdf2Tab
  • sdfAggregator
  • sdfAlign
  • sdfALogp
  • sdfBinning
  • sdfCalcProps
  • sdfCatsIndexer
  • sdfCFP
  • sdfCluster
  • sdfCNS_MPO
  • sdfConformerSampler
  • sdfEnumerator
  • sdfEStateCalculator
  • sdfExport
  • sdfFingerprinter
  • sdfFPCluster
  • sdfFPNNFinder
  • sdfFPSphereExclusion
  • sdfFractionIonized
  • sdfGrep
  • sdfGroovy
  • sdfLE
  • sdfMACCSKeys
  • sdfMCSSNNFinder
  • sdfMCSSSphereExclusion
  • sdfMDLSSSMatcher
  • sdfMMConfAnalysis
  • sdfMMMinimize
  • sdfMolSeparator
  • sdfMultiplexer
  • sdfNormalizer
  • sdfRGroupCalcProps
  • sdfRGroupExtractor
  • sdfRingSystemExtractor
  • sdfRModelPredictor
  • sdfRMSDNNFinder
  • sdfRMSDSphereExclusion
  • sdfRRandomForestCreator
  • sdfRSVMCreator
  • sdfSdfExporter
  • sdfSdfMerger
  • sdfSliceByRe
  • sdfSmartsGrep
  • sdfSorter
  • sdfSplicer
  • sdfStructureTagger
  • sdfSubRMSD
  • sdfTabMerger
  • sdfTagTool
  • sdfTopologicalIndexer
  • sdfTorsionScanner
  • sdfTransformer
  • sdminimize
  • tab2sdf
  • tabTabMerger

Download


Versioning


Add your version

Maintainers


  • person_outline Alberto Gobbi <>
  • person_outline Man Ling Lee <>

Publication for Chemalot

Chemalot in publications

 (2)
PMCID: 5933756
PMID: 29723208
DOI: 10.1371/journal.pone.0195732

[…] respectively., as an example, in order to run the gilthead seabream individual model, the following instructions need to be specified:, bream_ind_skeleton (userpath) , forcings <–bream_ind_dataloader (userpath) , output <–bream_ind_main (userpath, forcings) , on the other hand, running the mussel population model will require the following instructions:, mussel_pop_skeleton […]

PMCID: 2662786
PMID: 19298666
DOI: 10.1186/1478-7954-7-4

[…] well as health data on disability and long-term care provided by public services were used to calculate: a) the life expectancy and b) the health expectancies severe-disability-free life expectancy (sdfle) and long-term-care-free life expectancy (ltcfle) from 1999 to 2005. calculations were done using the sullivan method., sdfle at birth was 69.9 years (males 66.2 and females 73.2 years) in 1999 […]


To access a full list of publications, you will need to upgrade to our premium service.

Chemalot institution(s)
Discovery Chemistry, Genentech Inc., South San Francisco, CA, USA; Denali Therapeutics, South San Francisco, CA, USA; KNIME.com AG, Zurich, Switzerland; gNova Scientifc Software, San Diego, CA, USA

Chemalot reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review Chemalot