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Forge specifications

Information


Unique identifier OMICS_20673
Name Forge
Alternative name Cresset Forge
Software type Toolkit/Suite
Interface Command line interface, Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Version 10.4
Stability Stable
Free trial Yes
Registration required Yes
Maintained Yes

Subtools


  • Activity Atlas
  • Activity Miner
  • CressetEngineBroker
  • FieldTemplater
  • k-nearest Neighbour

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Documentation


Maintainer


  • person_outline Cresset Team <>

Forge in publications

 (7)
PMCID: 5519539
PMID: 28729623
DOI: 10.1038/s41598-017-06131-0

[…] was developed. this employs molecular field-based similarity method for the conformational search, to design a pharmacophore template which resembles the bioactive conformation. additionally, the activity-atlas models were generated to get a better insight of structure-activity relationship (sar). 3d-qsar also revealed the positive and negative electrostatics regions of the active compounds. […]

PMCID: 4721956
PMID: 26796546
DOI: 10.1371/journal.pone.0146868

[…] mal approach could provide better performance than the sal approach (i.e., gss) in identifying subject-specific frois., the functional atlas database for face recognition, which is part of the brain activity atlas project (http://www.brainactivityatlas.org), was used in this study. in the database, the subject-specific fsrs had been manually labeled for 202 participants (age: 18–23, 124 female) […]

PMCID: 4623604
PMID: 26507530
DOI: 10.1038/srep15686

[…] donors = 1.3 ± 0.9. the distributions of these and other chemical features of the two fragment libraries are summarized in ., consensus field maps for group 1 and 2 molecules were defined using the fieldtemplater module in forge (v10, cresset, ref= http://www.cresset-group.com/products/forge/accessed dec 2014). the fieldtemplater module takes as input a set of reference molecules (the active […]

PMCID: 4576822
PMID: 26174033
DOI: 10.1002/cmdc.201500260

[…] so-called “pharmacophore”, to identify structural regions in the ligands crucial for bioactivity. in our study, field points of kl001 and kl044 were used for generating a pharmacophore (figure ) in fieldtemplater available in the forge software package, which was used to align a diverse range of kl001 derivatives. the data included a set of 60 compounds with their potency in terms of −log(ec50) […]

PMCID: 4498294
PMID: 25656411
DOI: 10.1093/jac/dkv010

[…] to check the stereochemistry and to calculate the wildman–crippen partition coefficient (wclogp) and total polar surface area. the structures were minimized at a virtual ph of 7.0 and modelled with fieldtemplater (cresset software) using the default parameters to find the shared three-dimensional patterns of these four molecules based on shape and field similarities. the high-ranked […]

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