LigandScout 4.45 – Pharmacophore 3D Modeling

[metalinux]

LigandScout 4.45 – Pharmacophore 3D Modeling : 

 

LigandScout is a fully integrated platform for accurate virtual screening based on 3D chemical feature pharmacophore models. It offers seamless workflows, starting both from ligand- and structure based pharmacophore modeling, and includes novel high performance alignment algorithms for excellent prediction quality with unprecedented screening speed. Additionally, we have included user-friendly screening analysis tools, including the automated generation of ROC curves for performance assessments. All functions are accessible through a well elaborated graphic user interface that reflects our years of experience in creation of the most user-friendly pharmacophore modeling tools. The algorithms are scientifically validated and based on our well-established knowledge in pharmacophore research, while the application corresponds to state-of-the-art information technology.

 

Site: https://www.inteligand.com

Sharecode [?]: /ligandscout4/downloads/LigandScout_4_5_win64_20230509.exe

[metalinux]

This software works as DEMO only. When properly licensed, can turn into expert mode to explore all pharmacophore  parameters of small molecules. This software written in JAVA. TYPICAL LIST OF JAVA FILES ARE THE FOLLOWING.

 

java.lang.Thread.State: WAITING (on object monitor)
at java.lang.Object.wait(Native Method)
- waiting on <0x06e8a908> (a java.lang.Object)
at java.lang.Object.wait(Object.java:485)
at com.inteligand.ilib.fb.c.bc.e(bc.java)
- locked <0x06e8a908> (a java.lang.Object)
at com.inteligand.ilib.fb.c.hb.a(hb.java)
at com.inteligand.ilib.f.a.checkLicense(a.java)
at com.inteligand.ilib.f.a.init(a.java)
at com.inteligand.ilib.apps.ligandscout.LigandScoutApp.main(LigandScoutApp.java)
at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method)
at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:39)
at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:25)
at java.lang.reflect.Method.invoke(Method.java:597)
at com.exe4j.runtime.LauncherEngine.launch(Unknown Source)
at com.exe4j.runtime.WinLauncher.main(Unknown Source)
at com.install4j.runtime.launcher.WinLauncher.main(Unknown Source)

 

This is only for information.

[Karlston]

Moved from Software News.

 

@metalinux Thank you for your contribution, but because the post doesn't follow either the News Guidelines or Software Updates Guidelines & Templates, it belongs better here.

 

 

[metalinux]

Much appreciated for your kind direction. Hopefully talents will give solution.