Pregenerated drugs model and info

This release adds pregenerated Drugs model and information.

The Drugs package contains pharmacology models of all drugs classified by anatomical therapeutical chemical (ATC) codes. In 06/2025 there were 5496 unique records at ATC level 5 corresponding to 4363 distinct chemical substances.

The drugs in this package are organized as follows:

Common
contains records of molecular information about each drug as Common.DrugData.{ATC_code}

ATC
contains generated basic models based on ATC code as ATC.{ATC_first_level}.{ATC_code}

E.g.:
paracetamol has ATC code N02BE01, the corresponding model is ATC.N.N02BE01

remdesivir has ATC code J05AB16, the corresponding model is ATC.J.J05AB16

All drugs are also organized using ATC level 1 and ATC level 3 by including name and code for manual filtering. All pregenerated models extends from ATC.{ATC_first_level}.{ATC_code} model. All subsequent manually curated models may extend or may use different parameters or model structure as documented individually. The models are organized as
{ATC_first_level_code}.{ATC_third_level_code}.{ATC_code}_{drug_name}.{drug_name}

So e.g. paracetamol is at N_NervousSystem. N02B_OtherAnalgesicsAndAntipyretics. N02BE01_Paracetamol. Paracetamol

ATC code for first level are as follows:
A ALIMENTARY TRACT AND METABOLISM
B BLOOD AND BLOOD FORMING ORGANS
C CARDIOVASCULAR SYSTEM
D DERMATOLOGICALS
G GENITO URINARY SYSTEM AND SEX HORMONES
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
J ANTIINFECTIVES FOR SYSTEMIC USE
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
M MUSCULO-SKELETAL SYSTEM
N NERVOUS SYSTEM
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
R RESPIRATORY SYSTEM
S SENSORY ORGANS
V VARIOUS

References:

• [1] Kim, Sunghwan, et al. "PubChem substance and compound databases." Nucleic acids research 44.D1 (2016): D1202-D1213.
• [2] Knox, Craig, et al. "DrugBank 6.0: the DrugBank knowledgebase for 2024." Nucleic acids research 52.D1 (2024): D1265-D1275.