araag2/HINT huggingface dataset:
Clinical trial NCT02379910 (phase 1/phase 2, status: completed)
Conditions: atopic dermatitis
ICD codes: L20.89, L20.9
Drugs: am1030-cream or placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Males and/or females of any ethnic origin between 18 and 65 years of age

          -  Body mass index between 18.0 and 35.0 kg/m2

          -  Subjects with AD as defined by the Hanifen and Rajka criteria and with mild to severe
             disease activity (IGA 2-4)

          -  AD lesions amenable to cutaneous treatment located on the trunk and/or limbs

        Exclusion Criteria:

          -  Subjects with scars, moles, tattoos, sunburn or other blemishes in test areas

          -  Systemic treatment with immunosuppressants, immunomodulators or corticosteroids within
             2 weeks prior to dosing

          -  Topical treatment with corticosteroids, antibiotics and/or immunomodulators within 4
             days prior to dosing

          -  Treatment with systemic antihistamines within 24 hours of the first dose
             administration

          -  Treatment with SSRIs within 2 weeks of the first dose administration

          -  Subjects who have received phototherapy within 4 weeks prior to dosing
Clinical trial NCT02381080 (phase 1, status: completed)
Conditions: b-cell chronic lymphocytic leukemia
ICD codes: C91.11, C91.12, C91.10
Drugs: ibrutinib, erythromycin, voriconazole
SMILES: NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1, [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O, [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically or cytologically confirmed Chronic Lymphocytic Leukemia /Small
             Lymphocytic Lymphoma (CLL/SLL), Marginal Zone Lymphoma (MZL), Mantle Cell Lymphoma
             (MCL), Follicular Lymphoma (FL), or Waldenstrom's Macroglobulinemia (WM)

          -  Relapsed or refractory disease after at least 1 prior line of systemic therapy
             (participants with FL or MZL must have failed anti-CD20 monoclonal antibody containing
             chemotherapy regimen)

          -  Eastern Cooperative Oncology Group Performance Status score of 0 or 1

          -  Hematology values within the following limits: a) Absolute neutrophil count (ANC)
             greater than and equal to (>=) 1.0*10^9 per liter (L); b) Platelets >=50*10^9/L
             without transfusion support within 7 days; c) Hemoglobin >=8 gram per deciliter (g/dL)
             without transfusion support within 7 days; d) Prothrombin time /International
             normalized ratio (PT/INR) less than equal to (<=) 1.5*Upper Limit of Normal (ULN) and
             activated partial thromboplastin time (aPTT) <=1.5*ULN

          -  Biochemical values within the following limits: a) Alanine aminotransferase (ALT) and
             aspartate aminotransferase (AST) <=3.0*ULN; b) Total bilirubin <=1.5*ULN (unless due
             to Gilbert's syndrome); c) Serum creatinine <=1.5*ULN or a calculated creatinine
             clearance of >=50 milliliter per minute per 1.73 square meter

        Exclusion Criteria:

          -  Major surgery within 4 weeks of the first dose of ibrutinib

          -  Diagnosed or treated for malignancy other than the indication under study except for:
             a) Adequately treated non-melanoma skin cancer or lentigo maligna, curatively treated
             in-situ cancer without evidence of disease; b) Malignancy treated with curative intent
             and with no known active disease present for >=3 years before the first dose of
             ibrutinib

          -  History of stroke or intracranial hemorrhage within 6 months prior to the first dose
             of ibrutinib

          -  History of galactose intolerance

          -  Requires anticoagulation with warfarin or equivalent vitamin K antagonists (for
             example, phenprocoumon)
Clinical trial NCT02382666 (phase 1, status: completed)
Conditions: chemotherapy-induced nausea and vomiting
ICD codes: D61.810
Drugs: rolapitant
SMILES: C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Eligibility criteria:

        Main Inclusion Criteria:

          -  Subject must be a healthy male or female aged 18 to 55 years at Screening

          -  A female subject must have a negative pregnancy test at Screening and on Day -1.

          -  A female subject of childbearing potential must agree to use an accepted method of
             birth control (excluding hormonal birth control methods) from Screening through 30
             days after final study drug administration.

          -  Subject must have a body mass index (BMI) from 18.5 to 32.0 kg/m2 and a weight of

             ≥ 50 kg at Screening.

          -  Subject must be able to provide informed consent after risks and benefits have been
             explained. Subject must also be willing and able to comply with the protocol
             requirements.

          -  Subject must be in general good health as determined by the Investigator based on
             pre-study medical, medication, and surgical history; physical examination; and
             clinical laboratory tests.

        Main Exclusion Criteria:

          -  Subject must not have been dosed with test drug or blinded study drug in another
             investigational study within 30 days or 5 half-lives of the biologic activity of the
             test drug, whichever is longer, before the time of first study dose.

          -  Subject must not have a history of hypersensitivity to rolapitant IV or any of its
             excipients or who have completed a study visit as part of a previous rolapitant study
             within the 6 months prior to first study drug administration (Day

          -  Subject must not have poor venous access or consider venipuncture intolerable.

          -  Subject must not have a history of significant complications or anxiety associated
             with the IV administration of medications that, in the opinion of the Investigator,
             could make the subject unable to complete dosing requirements.

          -  Subject must not be pregnant or lactating.
Clinical trial NCT02392039 (early phase 1, status: terminated)
Conditions: lymphoma
ICD codes: S33.110S, S33.111S, S33.120S, S33.121S, S33.130S, S33.131S, S33.140S
Drugs: pegfilgrastim, loratadine
SMILES: CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1, CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2
Reason stopped: 
    slow accrual
  
Eligibility criteria:

        Inclusion Criteria:

          1. Patients must have newly diagnosed, previously untreated Diffuse Large B-cell
             Lymphoma, Mantle Cell Lymphoma, Grade 3B Follicular lymphoma, Burkitt Lymphoma,
             Peripheral T cell Lymphoma NOS, NK/T cell Lymphoma, or Transformed lymphoma.

          2. Planned to receive chemotherapy for 6 cycles which the treating physician plans to
             utilize for pegfilgrastim to minimize risk for neutropenic fever, including but not
             limited to R-CHOP, R-EPOCH, and R-HyperCVAD, CHOP, and SMILE.

          3. Age >= 18 years old.

          4. ECOG performance status 0-3.

          5. Ability to provide informed consent for participation.

        Exclusion Criteria:

          1. Existing chronic bone pain prior to pegfilgrastim usage.

          2. Creatinine clearance of <50ml/minute by Cockcroft Gault equation.

          3. Allergy to filgrastim, pegfilgrastim, or Loratadine.

          4. Chronic daily usage of antihistamine without an acceptable alternative
             non-antihistamine medication.

          5. Inability to swallow medications.

          6. Inability to complete the survey instrumentation accurately.
Clinical trial NCT02401737 (phase 1, status: completed)
Conditions: chronic hepatitis b
ICD codes: B18.0, B18.1, B18.2, B18.8, B18.9
Drugs: nvr 3-778, placebo for nvr 3-778, pegasys
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Patients may be male or female between 18 and 65 years of age, with a BMI of 18-35kg/m2.
        Patients must be HBeAg positive and have chronic hepatitis B with no history of clinical
        decompensation.
Clinical trial NCT02403271 (phase 1/phase 2, status: completed)
Conditions: non-small cell lung cancer, breast cancer, pancreatic cancer
ICD codes: C78.00, C78.01, C78.02, D14.30, D14.31, D14.32, C34.2, C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60, C25.3
Drugs: ibrutinib, durvalumab
SMILES: NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Eligibility criteria:

        Inclusion Criteria:

          1. Pathologically confirmed: Non-small cell lung cancer (NSCLC, adenocarcinoma or
             squamous-cell carcinoma), Breast Cancer (HER2 positive or triple negative), Pancreatic
             Cancer (adenocarcinoma)

          2. Relapsed or refractory disease (Stage III or IV): NSCLC or pancreatic cancer must have
             failed at least 1 prior treatment. Breast cancer must have failed at least 2 prior
             treatments.

          3. Measurable lesion by RECIST 1.1

          4. Adequate hematologic function:

               -  ANC >1500 cells/mm3

               -  Platelet count >100,000 cells/mm3

               -  HGB >9.0 g/dL

          5. Adequate hepatic and renal function:

               -  AST and ALT ≤2.5 x ULN for subjects without liver metastases and ≤3.5 x ULN for
                  subjects with liver metastases

               -  Bilirubin ≤1.5 x ULN (unless bilirubin rise is due to Gilbert's syndrome or of
                  non-hepatic origin)

               -  Creatinine ≤2.0 x ULN and Creatinine Clearance ≥40 mL/min (Cockcroft-Gault or
                  24-hour creatinine clearance collection)

          6. PT/INR <1.5 x ULN and PTT/ aPTT <1.5 x ULN

        Exclusion Criteria:

          1. Mixed small cell and NSCLC histology

          2. A history of CNS involvement except as follows: Subjects with previously treated CNS
             metastases that are adequately treated with whole brain radiotherapy, that are
             neurologically stable, and do not require corticosteroids for symptomatic management
             for at least 14 days prior to first dose of study drug. There must be no clear
             evidence of radiographically active disease for at least 90 days prior to enrollment.

          3. Anti-tumor therapy within 21 days of study Day 1

          4. Prior treatment with ibrutinib or other BTK inhibitor anti-CD137 or CTLA-4 antibody.
             The following are exceptions to this criterion: Subjects previously treated with an
             anti-PD1, anti-PD-L1, or anti-PD-L2 antibody.

          5. History of allogeneic organ transplant

          6. Treatment with a strong cytochrome P450 (CYP) 3A inhibitor
Clinical trial NCT02403648 (phase 1, status: completed)
Conditions: hypoglycemia
ICD codes: E16.1, E16.2, P70.3, P70.4, E16.0, E10.641, E10.649
Drugs: biod-961, lilly glucagon, novo glucagon
SMILES: N[C@@H](CCCNC(N)=N)C(O)=O, N[C@@H](CCCNC(N)=N)C(O)=O
Eligibility criteria:

        Inclusion Criteria:

          -  Body Mass Index: 18.5-25.0 kg/m2 inclusive.

          -  Subject has provided informed consent and has signed and dated an informed consent
             form before any trial-related activities.

        Exclusion Criteria:

          -  Type 1 or type 2 diabetes mellitus.

          -  History of pheochromocytoma, insulinoma, glucagonoma, or glycogen storage disease.

          -  History of regular alcohol consumption as defined by alcohol intake exceeding 7 drinks
             per week for females or 14 drinks per week for males, where 1 drink = 5 ounces of wine
             or 12 ounces of beer or 1.5 ounces of hard liquor.

          -  Significant cardiovascular (to include New York Heart Association (NYHA) Class III or-
             IV functional capacity or uncontrolled hypertension), respiratory, gastrointestinal,
             hepatic, renal, neurological, psychiatric and/or hematological disease.

          -  Any significant cardiovascular event history, including angina, myocardial infarction,
             therapeutic coronary procedure (e.g, percutaneous transluminal coronary angioplasty,
             coronary bypass surgery), stroke, or transient ischemic attack.

          -  Females who are breast feeding, pregnant, or intending to become pregnant during the
             study.
Clinical trial NCT02403713 (phase 1, status: completed)
Conditions: asthma
ICD codes: J45.998, J82.83, J45.909, J45.991, J45.20, J45.30, J45.40
Drugs: fluticasone/formoterol bai, formoterol, fluticasone/formoterol pmdi without spacer, fluticasone/formoterol pmdi with spacer, fluticasone/formoterol pmdi without spacer low dose
SMILES: COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1, COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1, COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1, COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1, COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Male or female subjects aged 18 years or over.

          -  Healthy and free of significant abnormal findings as determined by medical history,
             physical examination, vital signs, laboratory tests and ECG.

          -  Normal lung function (FEV1 >90% of predicted normal value).

          -  Demonstrate satisfactory technique in the use of the study drug devices.

          -  No use of steroid medication (systemic or topical) within 8 weeks prior to study
             screening.

        Exclusion Criteria:

          -  Subjects who use any asthma medication or are knowingly regularly exposed to asthma
             medication.

          -  Any history of drug or alcohol abuse.

          -  Any history of conditions that might interfere with drug absorption, distribution,
             metabolism or excretion.

          -  History of asthma, COPD, or other bronchial or lung diseases.

          -  User of steroid medication (systemic or topical) within 8 weeks prior to study
             screening.
Clinical trial NCT02407080 (phase 1, status: completed)
Conditions: polycythemia vera, essential thrombocythemia
ICD codes: D45, D47.3
Drugs: rg7388, pegasys
SMILES: COC1=CC(=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1C1=CC=CC(Cl)=C1F)C1=CC=C(Cl)C=C1F)C(O)=O
Eligibility criteria:

        Inclusion Criteria:

        (Patient should meet all the criteria)

          -  JAK2V617F-positive PV or JAK2V617F-positive ET (confirmed by WHO diagnostic criteria)

          -  High risk ET/PV [age >60; history of thrombosis] or low risk disease with symptoms
             [recurrent headaches, paresthesias, pruritus]

          -  Previously treated with at least one other agent [hydroxyurea, interferon, anagrelide]
             and determined to be either intolerant/resistant

             -≥18 years of age

          -  Eastern Cooperative Oncology Group (ECOG) Performance status 0-2

          -  Acceptable pre-study organ function during screening as defined as: Total bilirubin ≤
             1.5 times the upper limit of normal (ULN) unless due to Gilbert's disease or
             hemolysis, Aspartate aminotransferase (AST) and alanine aminotransferase (ALT) ≤ 2.5
             times ULN, Serum creatinine ≤ 1.5 x ULN

          -  Women of childbearing potential and males must agree to use adequate contraception
             (i.e., hormonal or barrier method of birth control; abstinence) prior to study entry
             and for the duration of study participation. Should a female subject become pregnant
             or suspect she is pregnant while participating in this study, she should inform the
             treating physician immediately

          -  Ability to understand and willingness to sign a written informed consent document.

        Exclusion Criteria:

          -  Meets the criteria for post ET/PV MF as defined by the International Working
             Group-Myeloproliferative Neoplasms Research and Treatment (IWG-MRT)

          -  Blast phase disease (>20% blasts in the marrow or peripheral blood)

          -  Acute thrombosis within 3 months of screening

          -  Uncontrolled intercurrent illness including, but not limited to hepatitis, human
             immunodeficiency virus (HIV) - positive subjects receiving combination antiretroviral
             therapy, ongoing or active infection, symptomatic congestive heart failure, unstable
             angina pectoris, ventricular arrhythmia, or psychiatric illness/social situations that
             would limit compliance with study requirements.
Clinical trial NCT02411565 (early phase 1, status: terminated)
Conditions: ovarian cancer
ICD codes: C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2
Drugs: fermented wheat germ extract (fwge), placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Reason stopped: 
    drug manufacturing issues
  
Eligibility criteria:

        Inclusion Criteria:

          -  Women with suspected epithelial ovarian, fallopian tube or primary peritoneal
             carcinoma scheduled to undergo surgical exploration with no prior treatment for the
             cancer. Signs of ovarian cancer include, but are not limited to: an elevated cancer
             antigen 125 (CA-125), a complex pelvic mass, ascites, and carcinomatosis. These signs
             are not necessary for suspicion or enrollment in this protocol.

          -  Age > 18 years and competent to give informed consent.

          -  Must have a Eastern Cooperative Oncology Group (ECOG) Performance status of 0, 1, or 2
             and a life-expectancy of at least 60 days.

          -  Adequate bone marrow function.

          -  Adequate renal function.

          -  Adequate hepatic function.

          -  Participants must sign an approved informed consent and authorization permitting
             release of personal health information.

          -  Women of childbearing potential must have a negative serum pregnancy test prior to the
             study entry and be practicing an effective method of birth control during the course
             of the study, in a manner such that risk of failure is minimized.

        Exclusion Criteria:

          -  Current use of FWGE

          -  Known allergy to wheat, rice (contained in the placebo), orange or the sweetener,
             Stevia.

          -  Potential participants who received neoadjuvant chemotherapy for ovarian cancer.

          -  An upper gastrointestinal or other condition that would impair swallowing or
             absorption of oral medication.

          -  Any serious illness or medical condition that would not permit the patient to be
             managed according to the protocol, including, but not to limited, any the following:
             History of significant neurologic or psychiatric disorder (e.g., uncontrolled
             psychiatric disorders) that would impair the ability to obtain consent or limit
             compliance with study requirement; Active uncontrolled or serious infection; Active
             peptic ulcer disease.

          -  Uncontrolled hypertension defined as systolic greater than 180 and diastolic greater
             than 100.
Clinical trial NCT02414932 (early phase 1, status: completed)
Conditions: depression
ICD codes: F32.A, F53.0, P91.4, Z13.31, Z13.32
Drugs: ketamine, midazolam
SMILES: CC1=CC(O)=CC(C)=C1Cl, CC1=CC(O)=CC(C)=C1Cl
Eligibility criteria:

        Inclusion Criteria:

          -  Patients ≥18 years with unipolar major depressive disorder (DSM-IV)

          -  24-item Hamilton Rating Scale for Depression (HRSD-24) score of ≥21

          -  Referred for ECT

        For the randomised Phase 2, patients must have

          -  received a substantial course of ECT in Phase 1 (i.e. at least five sessions)

          -  achieved at least response criteria (i.e. ≥60% decrease from baseline HRSD-24 score
             and score ≤16 on two consecutive weekly ratings)

          -  have a nominated adult who can stay with them for 24-hours on out-patient treatment
             days

          -  Mini-Mental State Examination (MMSE) score of ≥24

          -  able to provide informed consent

        Exclusion Criteria:

          -  Any condition rendering patient medically unfit for ECT; general anaesthesia, ketamine
             or midazolam - assessed by physical examination, routine haematology and biochemistry
             investigations prior to enrolment in Phase I (routine care)

          -  Active suicidal intention

          -  Dementia, intellectual disability, or MMSE <24

          -  Lifetime history of bipolar affective disorder

          -  Current history of post-traumatic stress disorder

          -  Other Axis I diagnosis (DSM-IV)

          -  ECT in the six months prior to recruitment

          -  Alcohol dependence or substance misuse in the six months prior to recruitment

          -  Pregnancy or breast-feeding

          -  Residing in a nursing home

          -  Prisoner

          -  Diagnosis of terminal illness

          -  Inability or refusal to provide valid informed consent
Clinical trial NCT02422199 (phase 1/phase 2, status: unknown status)
Conditions: her2 positive metastatic breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: pyrotinib, lapatinib, capecitabine
SMILES: CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Eligibility criteria:

        Inclusion Criteria:

          -  Aged ≥18 and ≤70 years.

          -  ECOG performance status of 0 to 1.

          -  Life expectancy of more than 12 weeks.

          -  At least one measurable lesion exists.(RECIST 1.1).

          -  Histologically or cytologic confirmed HER2 positive advanced breast cancer which
             failed prior therapies.

          -  Required laboratory values including following parameters:

        ANC: ≥ 1.5 x 10^9/L;Platelet count: ≥ 100 x 10^9/L;Hemoglobin: ≥ 9.0 g/dL;Total bilirubin:
        ≤ 1.5 x upper limit of normal (ULN);ALT and AST: ≤ 1.5 x ULN;BUN and creatine clearance
        rate: ≥ 50 mL/min;LVEF: ≥ 50%;QTcF: < 470 ms for female and < 450 ms for male.

          -  Signed informed consent

        Exclusion Criteria:

          -  Received previous therapy with lapatinib, neratinib, pyrotinib or any other HER2
             directe tyrosine kinase inhibitor.

          -  Received previous therapy with capecitabine within 3 months.