I knew this possibility already but was looking for web service offering that functionality of converting a InChI into structure. Chemspider renders the molecule behind the InChI in a manual kind of interaction, but in the web service that functionality is missing. Is there any particular reason?

I know there are combinations of tools (ruby, CACTVS) around, but they all are not as handy and light weight as a web services would be.

So, do you think, it could be possible to provide 2d structures in the future?

I appreciate your comments very much!

With kind regards
Jan

However, I appreciate the schemspider web servides very much.

Regrds
Jan

It basically does the same as simple search at http://www.chemspider.com/Search.aspx

http://depth-first.com/articles/2007/09/17/hacking-chemspider-query-by-smiles-and-inchi-with-ruby

2. the ‘from’ and ‘to’ parameter is a very good idea to reduce complexity, then you just need ‘from’, ‘to’, ‘format’ and ‘searchin=google+xyz+abc’

3. web-service versus web-forms, well and? I act as simple user, which does not like to fill in forms, if I can avoid it. As said before, a simple workaroud might be to provide a save/load funtion for web-forms, where people could save/load already entered data. If you create by accident the same format by using a web-service, then you have already the connection. There are maybe more elegant ways doing this … any ideas from the community about this?

4. Non-responding services and persons happen. Well, if they want to play alone in their sandbox, let them. I think I have a pretty good idea which one this might be. Anyway, the legal issue is a very serious one. And to be honest is not a golden rule to ‘break down barriers between services’ for making some progress. In other words, this is something that has to be worked out. If you can not get indexes from other services you can at least link to them. Though I would prefer an aggregation which could lead to an uniform output. Copyright and intellectual property statements could be added to the full search or to single entries of the search. In fact, this is even recommended!!! Honor to whom honor is due. Appreciate other services, if they do not the same to you. If they are not cooperating or responding, well, feel free to blog about it. The community is able to see who has done what and who has contributed what. And we all have to accept that services and people might have different goals! I personally see no point in not collaborating or at least talking about the potential intersections! If its about money, copyright, or appreciation there are tons of models to work with, not even talking about them is definitely not a solution.

5. Another thing is that services do not like download robots and they might even block you and you can do the same. This is definitely the complete opposite of the recent goal, but this might happen … and again … I know that you are a talking, connecting, and hard working team, so I would be really surprised, if not at least some services respond positively to your request?