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Supplemental Information

Supplementary Table 1

Chinese medicine molecules used in the present study with their smiles.

DOI: 10.7287/peerj.preprints.276v1/supp-1

Supplementary Table 2

Molecules predicted to have anti tubercular activity by our models.

DOI: 10.7287/peerj.preprints.276v1/supp-2

Supplementary Table 3

9 molecules which could penetrate the Mycobacterium tuberculosis cell wall.

DOI: 10.7287/peerj.preprints.276v1/supp-3

Additional Information

Competing Interests

Vinod Scaria is an Academic Editor for PeerJ and works for the Open Source Drug Discovery Project/Consortium.

Author Contributions

Salma Jamal performed the experiments, analyzed the data, contributed reagents/materials/analysis tools, wrote the paper, prepared figures and/or tables, reviewed drafts of the paper.

Vinod Scaria conceived and designed the experiments, wrote the paper, reviewed drafts of the paper.

Grant Disclosures

The following grant information was disclosed by the authors:

Open Source Drug Discovery Project (HCP001).

Data Deposition

The following information was supplied regarding the deposition of related data:


This work was funded by the Council of Scientific and Industrial Research (CSIR), India through Open Source Drug Discovery Project (HCP001). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.

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