Debian Med Project
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Summary
Pharmacology
Debian Med-pakker for farmaceutisk forskning

Denne metapakke indeholder afhængigheder for en samling af programmer og dokumentation, som er nyttig for farmaceutisk forskning.

Description

For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:

If you discover a project which looks like a good candidate for Debian Med to you, or if you have prepared an unofficial Debian package, please do not hesitate to send a description of that project to the Debian Med mailing list

Links to other tasks

Debian Med Pharmacology packages

Official Debian packages with high relevance

chemtool
Kemisk strukturtegningsprogram
Versions of package chemtool
ReleaseVersionArchitectures
sid1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
jessie1.6.14-1amd64,armel,armhf,i386
stretch1.6.14-1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
buster1.6.14-3amd64,arm64,armhf,i386
bullseye1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie1.6.14-6amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x
Debtags of package chemtool:
fieldchemistry
interfacex11
roleprogram
scopeapplication
uitoolkitgtk
useediting, learning
works-withimage, image:vector
works-with-formatsvg
x11application
Popcon: 23 users (14 upd.)*
Versions and Archs
License: DFSG free
Git

Chemtool er en GTK+-baseret 2D kemisk strukturredigering i X11. Den understøtter mange bindingstyper, de fleste former for tekst, der benyttes i kemisk tegnsætning samt splines, cirkelstykker og kurvede pile.

Tegninger kan eksporteres i formaterne MOL og PDB; SVG og XFig til yderligere påtegninger eller som en PiCTeX-tegning, en bitmap- eller PostScript-fil (flere af disse gennem XFigs hjælpeprogram fig2dev).

Pakken indeholder også et hjælpeprogram, cht, der beregner sumformlen og (eksakt) molvægt af en fil tegnet i chemtool. Cht kan enten kaldes direkte af Chemtool eller fra kommandolinjen.

Please cite: Matthias Brüstle: Chemtool - Moleküle zeichnen mit dem Pinguin. (eprint) Nachr. Chem. 49(11):1310-1313 (2001)
Screenshots of package chemtool
r-cran-dosefinding
Planlægge og analysere Dose Finding-eksperimenter
Versions of package r-cran-dosefinding
ReleaseVersionArchitectures
jessie0.9-12-1amd64,armel,armhf,i386
stretch0.9-15-1amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x
buster0.9-16-2amd64,arm64,armhf,i386
bullseye0.9-17-1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm1.0-3-1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie1.1-1-1amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x
sid1.1-1-1amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
Popcon: 1 users (1 upd.)*
Versions and Archs
License: DFSG free
Git

DoseFinding GNU R-pakken tilbyder funktioner for design og analyse af dose-finding-eksperimenter (med fokus på farmaceutiske fase II-kliniske forsøg). Tilbyder funktioner for: flerkontrasttest, tilpasning af ikkelineære dosis-svar modeller (via bayesiansk og ikkebayesiansk estimering), beregning af optimale design og en implementering af MCPMod-metoden.

Please cite: Jose C. Pinheiro, Björn Bornkamp and Frank Bretz: Design and Analysis of Dose-Finding Studies Combining Multiple Comparisons and Modeling Procedures. (PubMed) Journal of Biopharmaceutical Statistics 16(5):639-656 (2006)
r-cran-rpact
Confirmatory Adaptive Clinical Trial Design and Analysis
Versions of package r-cran-rpact
ReleaseVersionArchitectures
buster1.0.0-1amd64,arm64,armhf,i386
bullseye3.0.3-2amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bookworm3.3.4-1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
sid3.5.0-1amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x
upstream3.5.1
Popcon: 0 users (0 upd.)*
Newer upstream!
License: DFSG free
Git

Design og analyse af bekræftende adaptive kliniske forsøg med kontinuerlige, binære og overlevelsesendepunkter i henhold til metoderne beskrevet i monografien af Wassmer og Brannath (2016). Dette inkluderer klassisk gruppe sekventiel såvel som flertrins adaptiv hypotesetest, der er baseret på kombinationstestningsprincippet.

Debian packages in contrib or non-free

raccoon
preparation of in silico drug screening projects
Versions of package raccoon
ReleaseVersionArchitectures
jessie1.0b-1 (contrib)all
Popcon: users ( upd.)*
Versions and Archs
License: DFSG free, but needs non-free components
Svn

The field of computational biology is all about modeling physiochemical entities. Structural biology is about how those entities look in 3D and behave. And we have a drug when we can change that behaviour in a way that we want it to be changed - and only that behaviour.

Some good part of the characterisation of promising drug-like compounds for their interaction with a larger protein can be done on computers. This package helps with getting collections of small ligands prepared to be fitted against a particular protein of known structure. That docking itself is then to be performed by autodock or autodock-vina.

Raccoon may not find the drug, but it may well find a lead to it. To have this package with Debian shall help smaller biochemistry labs and grants an opportunity for the general public to educate itself and/or actively join in to help the world .... just a bit.

Please cite: Sandro Cosconati, Stefano Forli, Alex L. Perryman, Rodney Harris, David S. Goodsell and Arthur J. Olson: Virtual screening with AutoDock: theory and practice. (PubMed,eprint) Expert Opinion on Drug Discovery 5(6):597–607 (2010)
*Popularitycontest results: number of people who use this package regularly (number of people who upgraded this package recently) out of 236487