opensource software
Dear Researcher
please check this attachments.
Regards
http://chekhov.cs.vt.edu/PAPERS/open_source_drug_disc.pdf
http://www.vls3d.com/links/chemoinformatics/qsar
Check out the OECD QSAR Toolbox. It is highly regarded.
http://www.oecd.org/chemicalsafety/risk-assessment/theoecdqsartoolbox.htm
QSAR Modeling (in portuguese): http://lqta.iqm.unicamp.br (OPS/PLS)
QSARINS: www.qsar.it (GA/MLR)
To obtain upper and lower bound curves for trendline of scattered plot.
10 May 2020 2,117 1 View
I used the attached file and used ncdf4 package in RStudio in Windows machine to plot CO2 emissions. But the plot came out flat. I guess I am making a mistake in understanding the "emi_co2"...
24 March 2020 7,828 3 View
Hii, I am trying to dissolve 30 mg/L quantity of 98% pure Deca-brominated Diphenyl Ether powder (BDE 209) into Mineral Salt Medium but it does not form a solution in medium as the solubility of...
29 October 2019 9,200 2 View
I am trying to isolate RNA and DNA from the tissue biopsy stored in Trizol at -80 degree for more than 6 months . I isolated RNA using the standard Trizol method and obtained good quality and...
22 November 2018 2,446 2 View
My gel pieces are not getting destained. I have kept it for more than 6 hours now. I m using 50mM Ammonium bicarbonate and Acetonitrile in ratio of 7:3.
07 May 2018 5,419 1 View
I have already cut the gel pieces and would like to perform in gel digestion in future. So I had freeze them in 1% acetic acid. Can I still process those samples?
15 January 2018 1,120 1 View
My project involves analyzing proteome of my sample. I have more than 100 samples for analysis. Would proteomic analysis in R help me? Is it better than other softwares?
04 January 2018 2,591 6 View
Need to know for PVA polymer
21 November 2017 9,223 3 View
i want to know from were work on ZnO/NiO nanocomposite had started.
26 September 2017 3,538 3 View
25 September 2017 6,060 9 View
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View