From owner-chemistry@ccl.net Sat Jun 20 10:27:00 2020 From: "Shahar Keinan skeinan~!~gmail.com" To: CCL Subject: CCL: Help required regarding the ChemNet Project Message-Id: <-54109-200620095703-21636-XkVvko+N4sBQ+5McTisWnA,+,server.ccl.net> X-Original-From: Shahar Keinan Content-Type: multipart/alternative; boundary="00000000000006409305a884629b" Date: Sat, 20 Jun 2020 09:56:46 -0400 MIME-Version: 1.0 Sent to CCL by: Shahar Keinan [skeinan,,gmail.com] --00000000000006409305a884629b Content-Type: text/plain; charset="UTF-8" Dear Raman, Take a look at the DeepChem website, they have the Tox21and part of the Chembl datasets: https://github.com/deepchem/deepchem https://github.com/deepchem/deepchem/tree/master/datasets Best, Shahar On Thu, Jun 18, 2020 at 2:27 PM Raman Dutt rd650-,-snu.edu.in < owner-chemistry^^^ccl.net> wrote: > > Sent to CCL by: "Raman Dutt" [rd650(a)snu.edu.in] > Dear All > > I am a final-year student from India working on a project that requires > replicating the ChemNet (https://arxiv.org/abs/1712.02734) experiment. > Particularly, I want to know how to prepare the datasets such as Tox21 and > chEMBL for multi-task classification. I am having some trouble in working > with > missing values in Tox21 and would be really grateful if someone could > point me > in a functional direction. > > Warm Regards > Raman Dutt> > > -- ------------------------------------------------------ Shahar Keinan (919) 357 5319 --00000000000006409305a884629b Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Dear Raman,
Take a l= ook at the DeepChem website, they have the Tox21and part of the Chembl data= sets:=C2=A0

Best,
Shahar



On Thu, Jun 18, 20= 20 at 2:27 PM Raman Dutt rd650-,-snu.edu.in <owner-chemistry^^^ccl.net> wrote:

Sent to CCL by: "Raman=C2=A0 Dutt" [rd650(a)snu.edu.in]
Dear All

I am a final-year student from India working on a project that requires replicating the ChemNet (https://arxiv.org/abs/1712.02734) exp= eriment.
Particularly, I want to know how to prepare the datasets such as Tox21 and =
chEMBL for multi-task classification. I am having some trouble in working w= ith
missing values in Tox21 and would be really grateful if someone could point= me
in a functional direction.

Warm Regards
Raman Dutt



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Shahar Keinan
(919) 357 5319
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