araag2/HINT huggingface dataset:
Clinical trial NCT00111787 (phase 2, status: completed)
Conditions: neoplasms, breast
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: lapatinib, paclitaxel
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][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC
Eligibility criteria:

        Inclusion criteria:

          -  Tumor accessible for multiple biopsies

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

          -  Adequate bone marrow

          -  Renal and hepatic function

          -  LVEF (left ventricular ejection fraction) greater than 0% based on ECHO
             (echocardiogram) or MUGA (multigated acquisition).

        Exclusion criteria:

          -  Females who are pregnant or nursing.

          -  Any unstable, pre-existing major medical condition.

          -  Received an investigational drug within the past 4 weeks.

          -  Had major surgery in the past 2 weeks.

          -  Currently receiving amiodarone or has received amiodarone in the past 6 months.
Clinical trial NCT01098240 (phase 2, status: terminated)
Conditions: major depressive disorder
ICD codes: F33.0, F33.1, F33.9, F32.0, F32.1, F32.9, F33.40
Drugs: cp-601,927
SMILES: FC(F)(F)C1=CC2=C(C=C1)[C@H]1C[C@@H]2CNC1
Reason stopped: 
    see termination reason in detailed description.
  
Eligibility criteria:

        Inclusion Criteria:

          -  Medically healthy males or females aged 18-65 (inclusive).

          -  Patients must have a primary current diagnosis of MDD without psychotic features.

          -  Patients must be receiving ongoing antidepressant therapy at the time of screening.
             Duration of the current episode of MDD must be at least 8 weeks prior to enrollment
             without adequate response to treatment.

        Exclusion Criteria:

          -  Patients with other psychiatric disorders.

          -  Patients who use tobacco products.

          -  Alcohol or substance abuse or dependence.

          -  Treatment with a monoamine oxidase inhibitor within 10 weeks of enrollment.

          -  Pregnancy or breastfeeding.

          -  Clinically significant abnormalities on laboratory tests, electrocardiogram, or
             physical or neurologic examination.
Clinical trial NCT00470535 (phase 2, status: terminated)
Conditions: pancreatic cancer
ICD codes: C25.3
Drugs: erlotinib hydrochloride
SMILES: COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2
Reason stopped: 
    this study was terminated earlier due to a phase iii study that showed this drug inferior to
    sorafenib
  
Eligibility criteria:

        DISEASE CHARACTERISTICS:

          -  Histologically or cytologically confirmed adenocarcinoma of the pancreas

               -  Locally advanced inoperable or metastatic disease (stage III or IV disease)

          -  No more than 1 prior systemic therapy

          -  Patients who have not received 1 prior systemic therapy must meet 1 of the following
             criteria:

               -  Ineligible for or refused chemoradiotherapy AND has stage III disease

               -  Ineligible for or refused gemcitabine hydrochloride-based chemotherapy AND has
                  stage IV disease

          -  No brain metastases

        PATIENT CHARACTERISTICS:

          -  ECOG performance status 0-2

          -  Life expectancy > 3 months

          -  WBC > 3,000/mm³

          -  ANC > 1,500/mm³

          -  Platelet count > 100,000/mm³

          -  Bilirubin ≤ 2 mg/dL

          -  AST and ALT ≤ 2.5 times upper limit of normal (ULN) (≤ 5 times ULN in patients with
             documented liver metastases)

          -  Creatinine < 1.5 mg/dL

          -  Not pregnant or nursing

          -  Negative pregnancy test

          -  Fertile patients must use effective contraception during and for 6 months after
             completion of study therapy

          -  No uncontrolled comorbid illness that is likely to increase toxicity of the study drug
             or to interfere with toxicity evaluation

          -  No known allergy to the study drug or its excipients

          -  No symptomatic interstitial pulmonary disease

        PRIOR CONCURRENT THERAPY:

          -  See Disease Characteristics

          -  Prior adjuvant therapy allowed provided it was completed at least 28 days prior to
             study entry

          -  No prior EGFR-inhibitor

          -  No concurrent drugs that are known to be strong inducers or inhibitors of the CYP450
             enzyme system

          -  No concurrent Hypericum perforatum (St. John's wort)

          -  No concurrent investigational or commercial agents or therapies with the intent to
             treat the patient's malignancy
Clinical trial NCT00669591 (phase 2, status: completed)
Conditions: breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: bavituximab
SMILES: NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
Eligibility criteria:

        Inclusion Criteria:

          -  Adult females over age 18 with life expectancy of at least 3 months

          -  Histologically or cytologically confirmed locally advanced or metastatic breast cancer

          -  One and only one prior chemotherapy regimen (no prior docetaxel)

          -  Measurable disease (at least one target lesion)at least 2 cm in longest diameter (1 cm
             by spiral CT)

          -  Adequate hematologic, renal, and hepatic function;

        Exclusion Criteria:

          -  Known history of bleeding diathesis or coagulopathy

          -  Any current evidence of clinically significant bleeding

          -  Any history of thromboembolic events

          -  Concurrent hormone therapy

          -  Prior immunotherapy or radiotherapy to an area of measurable disease unless disease
             has recurred after radiotherapy
Clinical trial NCT01090024 (phase 2, status: completed)
Conditions: asthma
ICD codes: J45.998, J82.83, J45.909, J45.991, J45.20, J45.30, J45.40
Drugs: bi 671800, bi 671800, bi 671800, placebo
SMILES: CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O, CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O, CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion criteria:

          1. Signed informed consent consistent with International Conference on Harmonisation
             (ICH) - Good Clinical Practice (GCP) (ICH-GCP)

          2. Three month history of reversible (12% with 200 mL) asthma according to [Global
             Initiative for Asthma (GINA)] with following spirometry at randomization:forced
             expiratory volume in 1 second (FEV1) 60%-85%.

          3. Stable inhaled corticosteroid (ICS) dose 3 months prior to screening.

          4. Diagnosis of asthma prior to 40 years.

          5. Asthma Control Questionnaire (ACQ) at least 1.5 at randomization.

          6. Male or female, 18 to 65 years.

          7. Non-smokers or ex-smokers ( less than 10 pack year history) with negative cotinine
             screen.

          8. Able to perform pulmonary function test (PFT).

        Exclusion criteria:

          1. Significant diseases other than asthma or allergic rhinitis.

          2. Hepatic transaminases or total bilirubin greater than 1.5 upper limit of normal (ULN).

          3. Hospitalizations for asthma or asthma related intubation within 3 months.

          4. Uncontrolled asthma on ICS + another controller.

          5. Respiratory tract infection or exacerbation within 4 weeks.

          6. FEV1 less than 40%, more than 12 puffs of short acting beta agonists (SABA) on more
             than two consecutive days or asthma exacerbation during the run-in period.

          7. Participation in another interventional study.

          8. Pregnant or nursing women.

          9. Women of child bearing potential nor using appropriate methods of birth control as
             defined by protocol.
Clinical trial NCT00749567 (phase 2, status: terminated)
Conditions: non-small-cell lung cancer
ICD codes: C78.00, C78.01, C78.02, D14.30, D14.31, D14.32, C34.2
Drugs: erlotinib, bevacizumab
SMILES: COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Reason stopped: 
    poor accrual
  
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically or cytologically confirmed, unresectable locally advanced (stage IIIB
             with pleural effusion) and/or metastatic (stage IV) NSCLC

          -  Progression to first-line therapy for advanced/metastatic NSCLC

          -  Bi-dimensionally measurable disease (not included in radiation field)

          -  ECOG performance status of 0-2

          -  Life expectancy of more than 6 months

          -  Adequate liver (serum bilirubin <1.5 times the upper normal limit, AST and ALT <2.5
             times the upper normal limit in the absence of demonstrable liver metastases, or <5
             times the upper normal limit in the presence of liver metastases,adequate renal
             function (serum creatinine <1.5 times the upper normal limit),and bone marrow
             (neutrophils ≥ 1.5x 109 /L, and platelets ≥ 100x 109 /L) function

          -  Signed informed consent

        Exclusion Criteria:

          -  Central nervous system involvement (unless if the patient has being previously
             irradiated and is clinically stable)

          -  Presence of a centrally located mass or a tumor mass in close relation to large
             vessels or a mass with cavitation.

          -  Surgery or radiation therapy within the last 14 days from study entry

          -  Active infection

          -  History of life-threatening hemoptysis / hematemesis, history of thrombosis or use of
             anti-coagulation therapy

          -  History of significant cardiac disease (unstable angina, congestive heart failure,
             myocardial infarction, ventricular arrhythmias) or stroke within the previous 6 months
             or uncontrolled hypertension

          -  Patients on other experimental treatment protocols

          -  History of a second primary malignancy (other than basal-cell skin carcinoma or in
             situ carcinoma of the cervix)

          -  Psychiatric illness or social situation that would preclude study compliance

          -  Pregnant or lactating women
Clinical trial NCT01332305 (phase 2, status: completed)
Conditions: restless legs syndrome
ICD codes: G25.81
Drugs: gen (xp13512/gsk1838262), placebo
SMILES: CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Men or women at least 18 years of age

          -  RLS, based on the IRLSSG Diagnostic Criteria

          -  History of RLS symptoms occurring at least 15 nights in the month prior to Screening
             or, if on RLS treatment, this frequency of symptoms must have been applicable prior to
             start of treatment

          -  Documented RLS symptoms for at least 4 of the 7 consecutive evenings/nights

          -  Total RLS severity score of 15 or greater on the IRLS Rating Scale

          -  If taking dopamine agonists, gabapentin, or other treatments for RLS (e.g., opioids,
             benzodiazepines) medications must have been discontinued at least 2 weeks prior to
             Screening;

          -  If taking any prescription medication, therapy must have been stabilized for at least
             3 months prior to Screening with no anticipated changes for the duration of the study;

          -  Body Mass Index (BMI) of 34 or below

          -  estimated creatinine clearance of at least 60 mL/min

        Exclusion Criteria:

          -  a sleep disorder (e.g., sleep apnea) that may significantly affect the assessment of
             RLS

          -  history of RLS symptom augmentation or end of dose rebound with previous dopamine
             agonist treatment

          -  neurologic disease or movement disorder (e.g., diabetic neuropathy, Parkinson's
             disease, multiple sclerosis, dyskinesias, and dystonias);

          -  other clinically significant or unstable medical condition or conditions which could
             affect RLS treatment efficacy assessments

          -  serum ferritin level below 20 ng/mL

          -  currently suffering from moderate or severe depression using the Diagnostic and
             Statistical Manual of Mental Disorders and Treatment IV (DSM IV TR)
Clinical trial NCT01262274 (phase 2, status: terminated)
Conditions: breast neoplasms
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: anastrozole, anastrozole plus tegafur-uracil
SMILES: CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N, O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O
Reason stopped: 
    due to an adverse event revelation.
  
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically-confirmed diagnosis of invasive breast cancer

          -  Clinical stage T2, N0 or N1, M0 (TNM Classification)

          -  Patients must be postmenopausal

          -  Tumors are estrogen receptor (ER) positive and human epidermal growth factor receptor
             (HER2) negative

          -  ECOG Performance status (PS) 0 or 1

          -  Patients must be able to swallow tablets and capsules

          -  Candidates for mastectomy or breast-conserving surgery

          -  Adequate bone marrow, liver and renal function

          -  Written informed consent was obtained from all patients before randomization.

        Exclusion Criteria:

          -  Inoperable, bilateral or inflammatory breast cancer

          -  multiple carcinoma

          -  Personal history of invasive carcinoma

          -  Patients receive systemic therapy of corticosteroid

          -  Patients receive estrogen preparation or raloxifene

          -  Patients with other concurrent severe and/or uncontrolled medical disease

          -  Patients whom doctors judged inadequate to the enrollment of this study by other
             reasons.
Clinical trial NCT00235352 (phase 2/phase 3, status: completed)
Conditions: schizophrenia
ICD codes: F20.0, F20.1, F20.2, F20.3, F20.5, F20.89, F20.9
Drugs: cx516 (ampakine)
SMILES: O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2
Eligibility criteria:

        Inclusion Criteria:

          1. Diagnosis of Schizophrenia, any subtype

          2. Ages 18-65 years

          3. Capable of providing informed consent

          4. Stable dose of clozapine, olanzapine or risperidone for at least 6 months

        Exclusion Criteria:

          1. Serious medical or neurological illness (unstable cardiac disease, seizure disorder,
             malignancy, liver or renal impairment, etc.)

          2. Current substance abuse

          3. Pregnancy, nursing, or unwilling to use appropriate birth control measures during
             participation if female and fertile

          4. Unable to complete neuropsychological tests

          5. History of serious blood dyscrasia requiring discontinuation of clozapine

          6. Serious suicidal or homicidal risk within the past six months
Clinical trial NCT00337246 (phase 2, status: completed)
Conditions: leukemia
ICD codes: C95.91, C95.92, Z80.6, Z85.6, C90.11, C90.12, C91.01
Drugs: cyclophosphamide, fludarabine phosphate, mitoxantrone hydrochloride
SMILES: ClCCN(CCCl)P1(=O)NCCCO1, NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O, OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O
Eligibility criteria:

        DISEASE CHARACTERISTICS:

          -  Diagnosis of chronic lymphocytic leukemia requiring therapy

          -  Previously treated with ≥ 1 chemotherapeutic regimen

        PATIENT CHARACTERISTICS:

          -  WHO performance status 0-2

          -  Life expectancy ≥ 12 weeks

          -  Creatinine clearance ≥ 30 mL/min

          -  Not pregnant or nursing

          -  Negative pregnancy test

          -  Fertile female patients must use effective contraception for 4 weeks before, during,
             and for 6 months after completion of study treatment

          -  Fertile male patients must use effective contraception during and for 6 months after
             completion of study treatment

          -  No history of anaphylaxis after exposure to rat or mouse-derived
             complementary-determining region (CDR)-grafted humanized monoclonal antibodies

          -  No toxicity attributable to purine analogues (e.g., autoimmune hemolytic anemia,
             neurological toxicity, or allergy)

          -  No active infection

          -  No other severe (particularly cardiac or pulmonary) diseases or mental disorders that
             would preclude study participation

        PRIOR CONCURRENT THERAPY:

          -  See Disease Characteristics

          -  No prior fludarabine (or other purine analogues) combined with cyclophosphamide and
             mitoxantrone hydrochloride

          -  No prior rituximab, either alone or in combination with chemotherapy
Clinical trial NCT00147901 (phase 2, status: completed)
Conditions: b-cell chronic lymphocytic leukemia
ICD codes: C91.11, C91.12, C91.10
Drugs: fccam
SMILES: NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Eligibility criteria:

        Inclusion Criteria:

          -  B-CLL in need of treatment

          -  One or two prior prior therapies

          -  WHO performance status 0-2

        Exclusion Criteria:

          -  Serum creatinine > 1.5 ULN

          -  Major organ dysfunctions

          -  Pregnant or nursing
Clinical trial NCT01634087 (phase 2, status: completed)
Conditions: plaque psoriasis
ICD codes: L40.0, L40.4, L40.8, L40.9, L40.1, L40.50
Drugs: itacitinib, placebo
SMILES: FC1=C(N=CC=C1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1)C(F)(F)F, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Subjects with chronic plaque psoriasis aged 18 to 75 who have had insufficient
             response to topical agents, and who meet the psoriasis assessment expectations as
             defined in the study protocol

        Exclusion Criteria:

          -  Females who are pregnant or breastfeeding

          -  Men and women who cannot comply with requirements to avoid fathering a child or
             becoming pregnant, respectively

          -  Subjects treated with leflunomide or other biological therapies to treat psoriasis and
             all JAK-STAT inhibitors within 12 weeks prior to first dose of study drug
Clinical trial NCT01403064 (phase 2, status: terminated)
Conditions: oral mucositis
ICD codes: K12.30, K12.39, K12.33, K12.31, K12.32
Drugs: 0.9% saline
SMILES: [Na+].[Cl-]
Reason stopped: 
    due to lack of efficacy
  
Eligibility criteria:

        Inclusion Criteria:

          -  Have recently diagnosed (< than 6 months prior to screening visit date),
             pathologically confirmed, non-metastatic SCC of the oral cavity, oropharynx,
             hypopharynx or larynx that will be treated with CRT as first-line treatment; subjects
             with a history of surgical management (approximately 4-6 weeks before RT with
             sufficient time for post-surgical healing) are eligible

          -  Have a plan to receive a continuous course of conventional external beam irradiation
             delivered by intensity-modulated radiotherapy (IMRT) as single daily fractions of 2.0
             to 2.2 Gy, with a cumulative radiation dose between 55 and 72 Gy.

          -  Have a plan to receive a standard cisplatin CT regimen administered tri-weekly (80 to
             100 mg/m2, on Days 0, 21, and 42) or weekly (30 to 40 mg/m2) or a standard carboplatin
             regimen administered weekly (100 mg/m2)

          -  Have an Eastern Cooperative Oncology Group (ECOG) performance status ≤ 1

          -  CRP < 80 mg/L

          -  Have adequate hematopoietic, hepatic, and renal function at the screening visit

        Exclusion Criteria:

          -  Tumor of the lips, sinuses, salivary glands, nasopharynx or unknown primary tumor

          -  Metastatic disease (M1) Stage IV C

          -  Any prior history of head and neck cancer

          -  Prior radiation to the head and neck

          -  Have had a major surgical procedure, other than for HNC, or significant traumatic
             injury within 4 weeks prior to the initiation of RT; or anticipation of need for a
             major surgical procedure during the clinical trial

          -  Active infectious disease, excluding oral candidiasis

          -  Have OM at the screening visit

          -  Have a history of hypersensitivity to monoclonal antibody
Clinical trial NCT01006031 (phase 2/phase 3, status: completed)
Conditions: liver cirrhosis, hepatitis c virus, hiv infection
ICD codes: K74.60, K74.69, P78.81, K71.7, K70.30, K70.31, B00.81, B25.1, B26.81, B58.1, K75.4, A51.45, B17.2, Z21
Drugs: pegylated interferon alfa-2a and ribavirin
SMILES: NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Eligibility criteria:

        Inclusion Criteria:

          -  Age older than 18 years

          -  HIV-infected patients with compensated liver cirrhosis by HCV genotype 1 or 4 without
             previous virological response(*) to a standard dose treatment of both drugs.

          -  Women of child-bearing age: negative pregnancy test

          -  Ability to understand and sign a written consent form

        Exclusion Criteria:

          -  HCV genotypes different to 1 or 4

          -  Acute or chronic hepatitis B infection (positivity for hepatitis B surface antigen or
             plasma DNA) or other concomitant causes of liver disease

          -  Pregnancy or breast feeding.

          -  Decompensated liver disease at baseline.

          -  Neutropenia <1000/uL, anemia <100 g/L or thrombocytopenia <20.000/uL.

          -  Creatinine clearance < 50 mL/min.

          -  Concomitant treatment with immunomodulators or zidovudine, didanosine or stavudine.

          -  Organ or bone marrow transplantation

          -  Current alcoholism or iv drug abuse. Methadone is allowed.

          -  Current neoplasm and/or anti-tumor chemotherapy or immunomodulators

          -  Psychosis or uncontrolled clinical depression

          -  Auto-immune disease, including auto-immune hepatitis

          -  History of significant cardiovascular disease (NYHA III-IV) including but not limited
             to uncontrolled hypertension, angina pectoris, myocardial infarction, coronary artery
             surgery and congestive heart failure.

          -  Thyroid dysfunction.

          -  Clinically significant retinal abnormalities

          -  Inability to understand and sign a written consent form