It is my distinct honour and privilege to welcome you to the Journal of Theoretical and Computational Science.

The Journal of Theoretical and Computational Science aims to spread knowledge and promote discussion through the publication of peer-reviewed, high quality research papers on all topics related to Modern Scientific Techniques. The open access journal is published by Longdom Publishing who hosts open access peer-reviewed journals as well as organizes conferences that hosts the work of researchers in a manner that exemplifies the highest standards in research integrity.

Cheminformatics refers to use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such in silico techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied.

Chemical data can pertain to real or virtual molecules. Virtual libraries of compounds may be generated in various ways to explore chemical space and hypothesize novel compounds with desired properties. Virtual libraries of classes of compounds (drugs, natural products, diversity-oriented synthetic products) were recently generated using the FOG (fragment optimized growth) algorithm. This was done by using cheminformatic tools to train transition probabilities of a Markov chain on authentic classes of compounds, and then using the Markov chain to generate novel compounds that were similar to the training database.

We always encourage your research works under the scope of our Journal of Theoretical and Computational Science.

With regards,

Angelina

Managing Editor

Journal of Theoretical and Computational Science

WhatsApp: +3225889658