CNIV 2017

Chemistry Software. Utilizarea de software pentru rezolvarea problemelor de chimie


BUCUREŞTI, 30 Mai 2017, CNIV România
Conf. dr. Marin Vlada, Universitatea din Bucureşti

Chemistry Software. Utilizarea de software pentru rezolvarea problemelor de chimie. 

Motto: Științele sunt modele și reprezentări virtuale ale cunoașterii.

Exemple de proiecte prezentate de studenții din anul I (2016/2017) la Colocviul de la cursul de "Statistică Matematică și Informatică", specializarea Chimie medicală (înființată în anul 2016; în anul 2017 urmează să se înființeze și specializarea Chimie farmaceutică), Facultatea de Chimie - Universitatea din București.

Fișa disciplinei: https://www.scribd.com/
Teme și aplicații Laborator: https://www.scribd.com/

Legendă: FCn = Foaia de calcul n=1,2,3

  1. Mihăilescu Răzvan, anul I (ch. med.)- Proiect prezentare Prezi, https://prezi.com/view/vvpWa9h5N9FYwSmyvnKP/
  2. Teodoru Dragoș - Vlad , anul I (ch. med.)- Proiect prezentare Prezi, https://prezi.com/p/2e-eebatwpxx/">https://prezi.com/p/2e-eebatwpxx/
  3. Popa Adrian, anul I (chimie)- Proiect prezentare Prezi, https://prezi.com/p/sm82mc3nyy8d/
  4. Diaconescu Valentina, anul I (ch. med.)- Proiect prezentare Prezi, https://prezi.com/s5qonjq1ipaa/elemente-de-statistica-matematica-si-informatica/
  5. Mocanu Ana-Maria, anul I (ch. med.)- Proiect prezentare Prezi, https://prezi.com/ulxkgxkiiwbk/colocviu-elemente-de-statistica-matematica-si-informatica/
  6. Mărtinaș Delia, anul I (ch. med.)- Proiect prezentare Prezi, https://prezi.com/p/jd41eanrwlv0/
  7. Olănescu Florentina, anul I (ch. med.)- Proiect prezentare Prezi, https://prezi.com/jvoyl3n9smxc/elemente-de-statistica-matematica-si-informatica/
  8. Zavaleanu Laura anul I (chimie)- Proiect prezentare Prezi, https://prezi.com/p/vvjmqubhby0w/

Chemistry Software

Software - ISIS Draw / Symyx Draw

A chemical structure drawing program for Windows by MDL Information Systems - https://symyx-draw.en.softonic.com/
-ISIS/Draw - An Introductory Guide - http://bbruner.org/obc/isis.htm
-Symyx Draw - An Introductory Guide - http://bbruner.org/obc/symyx.htm
-Bob Bruner's Chemistry and Molecular Biology Resources - http://bbruner.org/
-http://isis-draw-for-windows.software.informer.com/2.5/
-http://mdl-isis-draw.updatestar.com/en

Software for Life Sciences - JSDraw

Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics solutions. Its informatics tools have been widely adopted by pharmaceutical, biotech, and chemical industries, universities, research institutes and government agencies.
 A Javascript Framework for Cheminformatics and Bioinformatics - http://www.scilligence.com/web/jsdraw.aspx , http://www.scilligence.com/web/home.aspx

Chemistry Software - ChemSketch

ACD/ChemSketch Freeware is a drawing package that allows you to draw chemical structures including organics, organometallics, polymers, and Markush structures - http://www.acdlabs.com/resources/freeware/chemsketch/ , http://www.acdlabs.com/resources/freeware/

Software - BIOVIA Draw

Dassault Systèmes BIOVIA provides a scientific collaborative environment for advanced biological, chemical and materials experiences that help science- and process-driven companies develop better products faster and more cost effectively in regulated and non-regulated environments”.
Ref.: http://accelrys.com/about/

Software - MolView

MolView: a structural formula editor and a 3D model viewer. The user can draw a compound or choose from a selection of compounds from three databases. Once a compound has been selected the user can click the 2D to 3D button to convert the molecule into a 3D model which is then displayed in the viewer, located on the right side of the screen.
Ref.: http://molview.org/ , User Manual

ChemDraw and ChemOffice 16

ChemDraw is the most robust suite of scientifically intelligent chemistry productivity tools ensuring the efficient design and visualization of molecules, reactions, biological entities and pathways in a publication-ready format – leading to deeper understanding of research outputs for faster decision making.
Ref.: http://www.cambridgesoft.com/