Recommend software for linking SMILES fragments with on attachment points?

12 July 2024 0 8K Report

Hi,

can you recommend any software, or maybe it can be done easily also using common tools like rdkit, that can take SMILES containing attachment points (e.g. CCO[*]) and combine/link them through their attachment points to form the molecule?

Thank you.

Martin

Badges
Science topic

More Martin Juhás's questions See All

Do you think can be any Uranium bearing rocks in Eastern part of Iran and western part of Afghanistan?

I want to know more about Uranium ore deposits in world.

11 August 2024 6,720 0 View

Do you think can be any diamond bearing rocks in Eastern part of Iran and western part of Afghanistan?

I want to know more about diamond ore deposits in world.

11 August 2024 2,167 1 View

What is the difference between mathematical R^4 space and physical 4D unit space?

We assume that the difference is huge and that it is not possible to compare the two spaces. The R^4 mathematical space considers time as an external controller and the space itself is immobile in...

10 August 2024 6,678 14 View

If Banks do not provide credit facility, what are the options available for FPOs and impact on producer’s income?

10 August 2024 8,198 5 View

Controlling for pupil light reflex when analyzing pupil size time course?

I used eye tracking to examine how participants from two different populations (A and B) react to an image. Participants in population A exhibit larger pupil sizes over time, but they also have...

10 August 2024 3,229 0 View

What are a “Farmers Producer Organization” (FPO) and its essential features?

10 August 2024 477 5 View

Strugglling with m6A dot blot any suugesstion ?

I have been doing the m6A dot blot for a while with no improvement, I am extracting the RNA, and I can see the dots although the three biological replicas give a different reading on the memberan...

10 August 2024 8,539 5 View

Do interactions between biosphere, carbon cycle, & water cycle impact global warming & interaction between atmosphere & hydrosphere?

How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?

09 August 2024 3,291 2 View

How to get moment output in Abaqus Standart?

I have input a moment load in module load Abaqus, i put my moment load on the node surface (using reference point). I have define moment in history output and make a set for moment too. But the...

08 August 2024 4,831 4 View

How is energy cycled through the Earth's climate system and how do matter cycle and energy flow through the rock cycle?

08 August 2024 8,162 0 View

Is it true that the vacuum bomb is about to arrive?

We assume this to be true. We also assume that the vacuum bomb is the latest version of explosives with an explosive power of a few to ten kg of TNT equivalent. It has the unique characteristic of...

04 August 2024 4,534 1 View

What researches are there for satisfaction level of the hospital attachment for student nurses ?

I am doing a study on nursing students satisfaction on the hospital attachment whether they are satisfied with the clinical attachment or not. I need more research studies on this

03 August 2024 6,985 2 View

Ternary in Electrical Engineering?

Dear Research Community I would like to invite Elctrical Engineering specialists to solve problems related to Ternary Algebra or tripple sets I have an algorithm that places in relation three...

28 July 2024 5,771 2 View

Where can I get PCR Primers for COI barcoding of birds?

We are in need of primers for a PCR protocol for chicken genome. We are looking at the COI barcode, 648-bp fragment of the 5' end of COI. Specifically Primers FalcFA, BirdR1, CO1_ExtF,...

16 July 2024 118 2 View

Why my mesh independent fastener as beam cartesian type not working in abaqus?

i have attached my model and i have used point based mesh independent fastener using attachment points and type of connector is basic cartesian but this is not working as i apply displacement on...

02 July 2024 6,293 0 View

How can I increase DNA concentration after gel purification for long length DNA fragment?

I'm currently working on gel purification in order to get DNA fragment for T4 ligation. But I have been able to take only 8.5ng/μl as a highest concentration of DNA fragment. And could not get...

01 July 2024 4,912 9 View

Please, what are the recent/top/free software for predicting data from MALDI-TOF that you have tried?

Please, can the fragmentation obtained from the mass spectrometry be predicted more easily using any free software? Kindly recommend it, thanks.

01 July 2024 5,327 6 View

Collaboration needed for LCMS/MS based untargeted metabolomics approach with multivariate analysis of Fermented Rice beverages?

Fermented beverages are very important drinks for some community as they consume daily with huge quantity, are traditionally believed as pharmacological and medicinal property along with...

16 June 2024 7,235 0 View

How to verify the relationship between the elements of public space (such as physical elements and cultural elements) and place attachment?

My research plan: First, via literature review and on-site investigation, summarize public space elements. Then, learn from literature that place attachment theory has two factors: place...

08 June 2024 3,808 0 View

Long Range PCR on dried blood spot gDNAs?

Hello, Has anyone done Long Range PCR on dried blood spot gDNAs? We are not able to amplify 12kb fragments from the gDNA. GDNA was manually extracted using ThermoFishder MagMAX™ DNA...

06 June 2024 5,667 0 View