prompt large_stringlengths 580 1.68k | completion stringclasses 2
values | metadata dict |
|---|---|---|
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Br[C@@H]1CC[C@@H](Br)[C@@H](Br)CC[C@H](Br)[C@H](Br)CC... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2a3e3fbf95d19de08ebc2f4639a043fa7fdbddcb",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Br[C@@H]1CC[C@@H](Br)[C@@H](Br)CC[C@@H](Br)[C@@H](Br)... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "6ea08c5e97876e465baf95ead240511d7ec5c29f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2
- known value: 88 ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "092e7d279d5012d037c13bdc28077a85acf96ee0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0db98d0a0defc5825c83c57eea54c52e530446a3",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC=C1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "201e92b2eaf1bbf5bd0dedbc6f945f40aa750eb3",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34
- known value:... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "02417dacea28b38548692fad8c265ae6f5bc2c8a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_s_1. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)C)C8(O)CCC... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "623ca6750e934615ac452931bdad9139a948ffff",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_s_1",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_basis":... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "02b1599277ccb65da67d2426366c781bc077cb2c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "28bec7c14f8e9c23ec5c338446a56ab660bb3781",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0d86876bd8ac623e08fd290c8e76375dfa4eee45",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "4996c724adcb02841c12b8ed9e260f604954ac8d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCCCCCC/C=C/C=C/C(=O)NCC(C)C
- known value: 5 percent... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "212ee672e37e38b8caf015d936e1b0629a62e62d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0084f898bbba7b8c85e13ca93851004433d13cb0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
- known value... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "4606bb9659dd7c2b34729333589886585e1e95db",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
- known value: 4.189e-05 cm_per_second
- assay sys... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "aee48ca007eb5dc66ebdac65cc8435c9a8f10d84",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: OC1CCCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)C1
- known value: 247 um
- assay system: aqueou... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "252787356c654def04254f68aac16fdbd9c50906",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 70 percent
- ass... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "078010690e3d4bc08b27a1a1b81fa2fb061c648a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Nc1cccc(-c2ccc(NC(=O)N3CCC(CN4CCCCC4)CC3)cc2)c1
- known value: 162 um
- assay system: ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "68962dd35613519a2a235546552d49398d44967d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Nc1cccc(-c2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc2)c1
- known value: 202 um
- assay system: s... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "258c995cd66b140afeeb1041996d958ca30fb5c9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Nc1cccc(-c2ccc(NC(=O)N3CCC(CN4CCCCC4)CC3)cc2)c1
- known value: 162 um
- assay system: ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2a1c601e8ea63122934f83cf14e0c5a866d9141a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "1a5167e615a51b0cd6bc9d47231f1efa3e10c224",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0ab9d70893d9d15a73b64baad24681aa1aff8680",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "ug_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "22678a5d28c5f16e1382ad0c43aef1519a1296de",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "ug_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-4_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "02143b34b9c465698b841bb61fc5d742d0476136",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-4_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "04666bd933e13e96bd5ba574b11264c8925f8c39",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0630239ddeddfa22ec7b632ae82afb867beb231e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "3fcab074c49e23a030a5e5f2cb6fae305888b63e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
- known value: ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "099bfd96687e7afd0db85aedc7c022d0d968f2d1",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C(O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21
- ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "013ba8ae168c3a8b4d3b11b1576b17ead08de3c8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 50.7 percent
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "006911b310348afd09daaf92539d927f1e5c97d5",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 41.4 percent
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "01ca66f537f36a07d1faa08714825c51f4bfacf1",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C(O)c1ccccc1O
- known value: 3.3 percent
- assay sy... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "048d7f6748bc2d4d639332b01ec018a514cd832d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 3.3 percent
- as... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "1ae3e43342c393f0b1c39ff245ac6063b77cda58",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C([O-])[O-].[Ca+2]
- known value: 27.42 percent
- a... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "031d41f77bdab9ad7e5c527026de362735f1904a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "34186310b13c3d3c4bbffb8287531c59e191e8b6",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "18201160334f6646fc98fbb709d8da49a871d84d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "001f92ad41170f64e5e4decbd3e863e4bbd84919",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "24286266a420283ad93a7fefbbe420c3b6f41bf2",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "125d0703a799e0e0bec4f41a0a4889e40223e789",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "44bd32704c7e8ef8b0801bb70533a02431403875",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0ebb28f5209cc2905cc75ee62c0f9f5245dce586",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in x10_4_cm_s_1. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "84c2fb698c0b3ab1545eb7badc958a05d8e2d87a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.x10_4_cm_s_1",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_b... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0bc30696b7d169d5ca49d7956892df4906158601",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C(O)/C=C/c1ccc(O)cc1
- known value: 73.3 percent
- ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2c30447b5b004e8e72f8773f6996dd6aa1cdf14c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "047dbd901693b5cf76cbce6f1e4a450920b7846a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCC)... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0f31e25ad1eb7c0968991d0d8f9288376bd3f27b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCC)... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "118fae5429b77041d0aa7107b29f0180fbb9fc68",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "00c5fe96233177d7b904888dd4a30b4f4a0888c8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "100c79610259f71bacb5d1f551ce3417924aaa5b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3oc(=O)oc3C(C)(C)C)=... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "180c042731d844123cf31dbb19246dcffcf316d2",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "05094135607bc0ef5961ec6d3ad98535f93d8626",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2e3036de99cf4be9114d03b06e9633747ef091f9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "df5f2fc98018d91929b5fc15581ae0fb529e4770",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "9e9426b1a1e24a69dea105754b7d75d202f28bcd",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-4_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)C[C@H](N)C(=O)O
- known value: 0.71 1e-4_cm_per_second
- assay system: Ussing ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "05a046b57e5c4e2208aa4cba2dcd6354574f091f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-4_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: NC(=O)CC[C@H](N)C(=O)O
- known value: 1.3 percent
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0218d770651678e7697ab44e6bb98f2d86758fc4",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)O.C[As](=O)([O-])[O-].[Na+].[Na+]
- known value: 5e-06 cm_per_second
-... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "d438cda044d9d7e63ef992fed4c205fa55d83299",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: N[C@H](Cc1ccccc1)C(=O)O
- known value: 48.5 percent
-... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "10b63ade85d40624f60a1b7063d9390ac349b009",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "5d78feaf37f70ba5e4c52acb517a71929ff581fe",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in mg_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.O.O.[Na+]
- known value: 34.5 mg_ml
- assay system: equilib... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "21311924199bfc8f827e46735a6b424e9d69b396",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.mg_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "mg_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in mg_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
- known value: 30.2 mg_ml
- assay system: ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "595623ed6225c33f0506e784a946ff3d8f87bc0e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.mg_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "mg_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)c1oc(=O)oc1COC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3c... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0a8a256c62d6559d211073d101599bc6485ff198",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
- known value: 4.189e-05 cm_per_second
- assay sys... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "749aea495bd3fcb34ea738130ce2d22fb1320d9e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)NCC(=O)O
- known value: 3.01e-06 cm_per_second
- assay system: Caco-2 ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "98a2f90d87a06d85863b9558dbf2c2b8bd32dee0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
End of preview. Expand in Data Studio
Assay Transfer
Binary, retrieval-anchored assay-transfer classification examples derived from the canonical assay endpoint bases.
Each row contains exactly:
prompt: concept-specific multiple-choice assay-transfer prompt;completion:Afor transfer orBfor not transfer; andmetadata: structured endpoint, threshold, provenance, similarity, and vote audit data.
The query side exposes molecular structure only. Query measurements, query assay context, and evidence votes are not rendered in the prompt.
Splits
| Split | Rows |
|---|---|
| train | 158,429 |
| validation | 1,703 |
| test | 1,703 |
Fa-high, Fg-high, and Fh-high use all available hard-labeled training candidates. Fa-high and Fg-high use matched validation/test counts; other held-out strata contain 200 rows.
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