These are one of the many criterias or filters for determining the drug-likeliness of a particular chemical compound.
There are many rules to determine drug-likeliness of a particular chemical compound. Lipinski's rule of 5 is one of them with few postulates one of them being logP i.e water-octanol partition...
04 May 2016 3,579 1 View
Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...
01 March 2021 8,766 3 View
Can anyone recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to...
17 February 2021 2,383 3 View
I need to determine the open formula of our complex, presumably consisting of sodium tungstate Na2WO4 and aluminum sulfate Al2 (SO4) 3. Our problem is that with an increase in the concentration...
11 February 2021 5,821 1 View
Dear community, As far as I understand, negative density features point at stuff that is in the model, but not supported by experimental data. However, in many cases (e.g. attached image), when...
06 February 2021 2,847 2 View
I am currently making a research paper with my classmates in Philippine Science High School and we are trying to find references that mixed Fermented Plant Juice with other solvents instead of...
17 January 2021 5,099 4 View
Is there a convention for correct italicization of abbreviated parts of chemical molecule names? For...
13 January 2021 7,396 3 View
Pesticides become prime compo in agricultural activities to meet the growing demand of the human population. But indiscriminate usage and mishandling led to two disasters in India such as Bhopal...
11 January 2021 3,790 7 View
I want to know chemical properties such as repellent tendency.
05 January 2021 4,797 3 View
Could anyone please suggest me a good texts/methods about city waste management towards the fine chemical ends? I am interested to develop methods to process both solid and liquid parts to...
01 January 2021 6,201 5 View
I'm not working on biomolecules, I work on Organic, Organometallic, and sometimes inorganic structures. Do you know a simple way to apply the right calculation method? Is there any article or...
10 December 2020 3,396 5 View