Commit 10dc6282 authored by Bharath Ramsundar's avatar Bharath Ramsundar
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Cleaning up readmes

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# DeepChem ADME
# ADME Dataset Examples

ADME (Absorption, Distribution, Metabolism, Excretion) is a core part of the drug discovery process. In-silico models\
 for ADME tasks span a wide variety of pharmacokinetics endpoints across multiple species.
ADME (Absorption, Distribution, Metabolism, Excretion) is a core
part of the drug discovery process. In-silico models for ADME
tasks span a wide variety of pharmacokinetics endpoints across
multiple species.

The ADME benchmark contains three of the larger datasets that were released by AstraZenica on ChEMBL: human plasma pr\
otein binding (PPB), lipophilicity, and human clearance. While this data is small relative to full industrial dataset\
s, it is high quality and diverse.
The ADME benchmark contains three of the larger datasets that
were released by AstraZeneca on ChEMBL: human plasma protein
binding (PPB), lipophilicity, and human clearance. While this
data is small relative to full industrial datasets, it is high
quality and diverse.

Note that PPB dataset labels are transformed using %bound -> log(1 - %bound).

@@ -24,11 +28,6 @@ $ python run_benchmark.py model split dataset
- splits: {scaffold, random, index}
- dataset: {az_clearance.csv, az_hppb.csv, az_logd.csv}

Paper
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www.arxiv.org/00000000

License
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