logD calculations for Ketoximes

[dmitrij176]

Good day Luiza (@dosreic ). Can you please be so kind and calculate logD values for the recently analysed ketoxime library. All structural information is provided in the attached Word documents. Thank you in advance logD March 2023 .docx logD August 2023 .docx

[dosreic]

Hi Dmitrij,

Here they are, let me know if you need anything else.

Best wishes, Luiza

Luiza Cruz, PhD I Drug Discovery Coordinator Drugs for Neglected Diseases initiative (DNDi) Rua São José 70 – Sala 601 - Centro | ZIP 20010020 Rio de Janeiro | Brazil M: +55 37 999072470 | @.**@.> dndi.org

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De: dmitrij176 @.> Enviada em: quarta-feira, 6 de dezembro de 2023 15:18 Para: OpenSourceMycetoma/Series-6-Ketoximes @.> Cc: Luiza Cruz @.>; Mention @.> Assunto: [OpenSourceMycetoma/Series-6-Ketoximes] logD calculations for Ketoximes (Issue #6)

Good day Luiza @.***https://github.com/dosreic ). Can you please be so kind and calculate logD values for the recently analysed ketoxime library. All structural information is provided in the attached Word documents. Thank you in advance logD March 2023 .docxhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/files/13589969/logD.March.2023.docx logD August 2023 .docxhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/files/13589970/logD.August.2023.docx

— Reply to this email directly, view it on GitHubhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/issues/6, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A4KDXHUIBS3GFLY7T2NEODLYICZETAVCNFSM6AAAAABAJZYHB2VHI2DSMVQWIX3LMV43ASLTON2WKOZSGAZDSMJTGI4TONI. You are receiving this because you were mentioned.Message ID: @.***>

[dmitrij176]

Hi Dmitrij, Here they are, let me know if you need anything else. Best wishes, Luiza Luiza Cruz, PhD I Drug Discovery Coordinator Drugs for Neglected Diseases initiative (DNDi) Rua São José 70 – Sala 601 - Centro | ZIP 20010020 Rio de Janeiro | Brazil M: +55 37 999072470 | @.**@.> dndi.org [A picture containing text, clipart Description automatically generated] De: dmitrij176 @.> Enviada em: quarta-feira, 6 de dezembro de 2023 15:18 Para: OpenSourceMycetoma/Series-6-Ketoximes @.> Cc: Luiza Cruz @.>; Mention @.> Assunto: [OpenSourceMycetoma/Series-6-Ketoximes] logD calculations for Ketoximes (Issue #6) Good day Luiza @.https://github.com/dosreic ). Can you please be so kind and calculate logD values for the recently analysed ketoxime library. All structural information is provided in the attached Word documents. Thank you in advance logD March 2023 .docxhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/files/13589969/logD.March.2023.docx logD August 2023 .docxhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/files/13589970/logD.August.2023.docx — Reply to this email directly, view it on GitHub<#6>, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A4KDXHUIBS3GFLY7T2NEODLYICZETAVCNFSM6AAAAABAJZYHB2VHI2DSMVQWIX3LMV43ASLTON2WKOZSGAZDSMJTGI4TONI. You are receiving this because you were mentioned.Message ID: @.>

Thank you Luiza.

[dmitrij176]

@dosreic I dont think there is a file attachment in your message. Can you upload it again please.

[dosreic]

See if this works... otherwise, let me know how can I do it on github

Luiza Cruz, PhD I Drug Discovery Coordinator Drugs for Neglected Diseases initiative (DNDi) Rua São José 70 – Sala 601 - Centro | ZIP 20010020 Rio de Janeiro | Brazil M: +55 37 999072470 | @.**@.> dndi.org

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De: dmitrij176 @.> Enviada em: quarta-feira, 6 de dezembro de 2023 18:46 Para: OpenSourceMycetoma/Series-6-Ketoximes @.> Cc: Luiza Cruz @.>; Mention @.> Assunto: Re: [OpenSourceMycetoma/Series-6-Ketoximes] logD calculations for Ketoximes (Issue #6)

@dosreichttps://github.com/dosreic I dont think there is a file attachment in your message. Can you upload it again please.

— Reply to this email directly, view it on GitHubhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/issues/6#issuecomment-1843740734, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A4KDXHWD7EA6JY2EJELJQ33YIDRR3AVCNFSM6AAAAABAJZYHB2VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTQNBTG42DANZTGQ. You are receiving this because you were mentioned.Message ID: @.***>

[dmitrij176]

@dosreic nothing unfortunately. Depending on the file format you might need to compress the original file into a zip format and then upload it on GitHub. For example, Word documets are compatible with Github and are usually attached directly. Chemdraw files have to be compressed into zip format before uploading. Which file type do you have?

[dmitrij176]

excel is not compatible if i remeber correctly

[dosreic]

I have a xlsx and a sdf.. I will send them in a zip file

Luiza Cruz, PhD I Drug Discovery Coordinator Drugs for Neglected Diseases initiative (DNDi) Rua São José 70 – Sala 601 - Centro | ZIP 20010020 Rio de Janeiro | Brazil M: +55 37 999072470 | @.**@.> dndi.org

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De: dmitrij176 @.> Enviada em: quarta-feira, 6 de dezembro de 2023 18:52 Para: OpenSourceMycetoma/Series-6-Ketoximes @.> Cc: Luiza Cruz @.>; Mention @.> Assunto: Re: [OpenSourceMycetoma/Series-6-Ketoximes] logD calculations for Ketoximes (Issue #6)

@dosreichttps://github.com/dosreic nothing unfortunately. Depending on the file format you might need to compress the original file into a zip format and then upload it on GitHub. For example, Word documets are compatible with Github and are usually attached directly. Chemdraw files have to be compressed into zip format before uploading. Which file type do you have?

— Reply to this email directly, view it on GitHubhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/issues/6#issuecomment-1843747723, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A4KDXHVVPJP5UHVX7CQOHWTYIDSHHAVCNFSM6AAAAABAJZYHB2VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTQNBTG42DONZSGM. You are receiving this because you were mentioned.Message ID: @.***>

[dmitrij176]

That should work

[dosreic]

How about now?

Luiza Cruz, PhD I Drug Discovery Coordinator Drugs for Neglected Diseases initiative (DNDi) Rua São José 70 – Sala 601 - Centro | ZIP 20010020 Rio de Janeiro | Brazil M: +55 37 999072470 | @.**@.> dndi.org

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De: dmitrij176 @.> Enviada em: quarta-feira, 6 de dezembro de 2023 18:56 Para: OpenSourceMycetoma/Series-6-Ketoximes @.> Cc: Luiza Cruz @.>; Mention @.> Assunto: Re: [OpenSourceMycetoma/Series-6-Ketoximes] logD calculations for Ketoximes (Issue #6)

That should work

— Reply to this email directly, view it on GitHubhttps://github.com/OpenSourceMycetoma/Series-6-Ketoximes/issues/6#issuecomment-1843752873, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A4KDXHW65YJ7ZODBIEGLUALYIDSW5AVCNFSM6AAAAABAJZYHB2VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTQNBTG42TEOBXGM. You are receiving this because you were mentioned.Message ID: @.***>

[dmitrij176]

I dont see any attachment Im afraid. You can check that by clicking in Github on what you originally uploaded. Sorry for the inconvenience. Maybe it would be easier if we try via my institutional email: dmitrij.melechov.17@ucl.ac.uk

[mattodd]

Hi @dosreic attachments don't work if you're interacting with Github via email. You need to drag and drop them on the relevant page at https://github.com/OpenSourceMycetoma/Series-6-Ketoximes/issues/6

[dmitrij176]

Hi Mat (@mattodd ). Luiza kindly emailed me the compressed zip file earlier today. I will reupload the original file to Github for storage purposes. MycetOS.zip