Computational applications in secondary metabolite discovery (caismd): An online workshop

We report the major conclusions of the online open-access workshop “Computational Applications in Secondary Metabolite Discovery (CAiSMD)” that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 200 registered participants from fve continents (Africa, Asia, Europe, South America, and North America) took part in the workshop. The workshop highlighted the potential applications of computational meth‑ odologies in the search for secondary metabolites (SMs) or natural products (NPs) as potential drugs and drug leads. During 3 days, the participants of this online workshop received an overview of modern computer-based approaches for exploring NP discovery in the “omics” age. The invited experts gave keynote lectures, trained participants in handson sessions, and held round table discussions. This was followed by oral presentations with much interaction between the speakers and the audience. Selected applicants (early-career scientists) were ofered the opportunity to give oral presentations (15 min) and present posters in the form of fash presentations (5 min) upon submission of an abstract. The fnal program available on the workshop website (https://caismd.indiayouth.info/) comprised of 4 keynote lec‑ tures (KLs), 12 oral presentations (OPs), 2 round table discussions (RTDs), and 5 hands-on sessions (HSs). This meeting report also references internet resources for computational biology in the area of secondary metabolites that are of use outside of the workshop areas and will constitute a long-term valuable source for the community. The workshop concluded with an online survey form to be completed by speakers and participants for the goal of improving any subsequent editions

[TaTe4]4[PtI6]I2[TaTe_4]_4[PtI_6]I_2, ein neues quaternäres Tellurid-Iodid mit Kettenstruktur / [TaTe4]4[PtI6]I2[TaTe_4]_4[PtI_6]I_2, A New Quaternary Telluride-Iodide with Chain Structure

[TaTe4]4[PtI6]I2 was synthesized from the elements at 680°C. Its crystal structure was determined using single crystal methods. The structure of the quasi one-dimensional compound [TaTe4]4[PtI6]I2 (P1̄, Z = 1, a = 16.831(1), b = 17.740(1), c = 19.018(1)Å, α = 93.57°, β = 94.08°, γ = 102.09°) consists of Ta(Te2)2 chains separated by PtI6 groups and I atoms. The formal oxidation state assignment [(Ta5+)(Te22-)2]4[(Pt4+)(I-)6](I-)2 indicates that semiconducting properties are to be expected for this material.About the articl

A Computational Study on Bounding the Makespan Distribution in Stochastic Project Networks

Given a stochastic project network with independently distributed activity durations, several approaches to bound the distribution function of the project completion time have been proposed. We have implemented the most promising of these algorithms and compare their behavior on a basis of nearly 2000 instances with up to 1200 activities of different test-beds. We propose a suitable numerical representation of the given distributions which is the basis for excellent computational results