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750 KiB
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1 line
750 KiB
JSON
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{"Pgp_Broccatelli": "Instructions: Answer the following question about drug properties.\nContext: P-glycoprotein (Pgp) is an ABC transporter protein involved in intestinal absorption, drug metabolism, and brain penetration, and its inhibition can seriously alter a drug's bioavailability and safety. In addition, inhibitors of Pgp can be used to overcome multidrug resistance.\nQuestion: Given a drug SMILES string, predict whether it\n(A) is not a PgP inhibitor (B) is a PgP inhibitor\nDrug SMILES: {Drug SMILES}\nAnswer:", "Bioavailability_Ma": "Instructions: Answer the following question about drug properties.\nContext: Oral bioavailability is defined as \u201cthe rate and extent to which the active ingredient or active moiety is absorbed from a drug product and becomes available at the site of action\u201d.\n\n\nQuestion: Given a drug SMILES string, predict whether it\n(A) has oral bioavailability < 20% (B) has oral bioavailability \u2265 20%\nDrug SMILES: {Drug SMILES}\nAnswer:", "BBB_Martins": "Instructions: Answer the following question about drug properties.\nContext: As a membrane separating circulating blood and brain extracellular fluid, the blood-brain barrier (BBB) is the protection layer that blocks most foreign drugs. Thus the ability of a drug to penetrate the barrier to deliver to the site of action forms a crucial challenge in development of drugs for central nervous system.\nQuestion: Given a drug SMILES string, predict whether it\n(A) does not cross the BBB (B) crosses the BBB\nDrug SMILES: {Drug SMILES}\nAnswer:", "CYP2D6_Veith": "Instructions: Answer the following question about drug properties.\nContext: The CYP P450 genes are involved in the formation and breakdown (metabolism) of various molecules and chemicals within cells. Specifically, CYP2D6 is primarily expressed in the liver. It is also highly expressed in areas of the central nervous system, including the substantia nigra.\nQuestion: Given a drug SMILES string, predict whether it\n(A) does not inhibit CYP2D6 (B) inhibits CYP2D6\nDrug SMILES: {Drug SMILES}\nAnswer:", "CYP3A4_Veith": "Instructions: Answer the following question about drug properties.\nContext: The CYP P450 genes are involved in the formation and breakdown (metabolism) of various molecules and chemicals within cells. Specifically, CYP3A4 is an important enzyme in the body, mainly found in the liver and in the intestine. It oxidizes small foreign organic molecules (xenobiotics), such as toxins or drugs, so that they can be removed from the body.\nQuestion: Given a drug SMILES string, predict whether it\n(A) does not inhibit CYP3A4 (B) inhibits CYP3A4\nDrug SMILES: {Drug SMILES}\nAnswer:", "CYP2C9_Veith": "Instructions: Answer the following question about drug properties.\nContext: The CYP P450 genes are involved in the formation and breakdown (metabolism) of various molecules and chemicals within cells. Specifically, the CYP P450 2C9 plays a major role in the oxidation of both xenobiotic and endogenous compounds.\nQuestion: Given a drug SMILES string, predict whether it\n(A) does not inhibit CYP2C9 (B) inhibits CYP2C9\nDrug SMILES: {Drug SMILES}\nAnswer:", "CYP2D6_Substrate_CarbonMangels": "Instructions: Answer the following question about drug properties.\nContext: CYP2D6 is primarily expressed in the liver. It is also highly expressed in areas of the central nervous system, including the substantia nigra. Substrates are drugs that are metabolized by the enzyme. \nQuestion: Given a drug SMILES string, predict whether it\n(A) is not a substrate to the enzyme CYP2D6 (B) is a substrate to the enzyme CYP2D6\nDrug SMILES: {Drug SMILES}\nAnswer:", "CYP3A4_Substrate_CarbonMangels": "Instructions: Answer the following question about drug properties.\nContext: CYP3A4 is an important enzyme in the body, mainly found in the liver and in the intestine. It oxidizes small foreign organic molecules (xenobiotics), such as toxins or drugs, so that they can be removed from the body. Substrates are drugs that are metabolized by the enzyme. \nQuestion: Given a drug SMILES string, predict whether it\n
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