araag2/HINT huggingface dataset:
Clinical trial NCT02110992 (phase 1, status: terminated)
Conditions: head and neck cancer
ICD codes: C76.0, C47.0, C49.0, C77.0, D17.0, D21.0, D36.11
Drugs: docetaxel
SMILES: [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Reason stopped: 
    slow accrual
  
Eligibility criteria:

        Inclusion Criteria:

          -  Recurrent or second primary squamous cell head and neck cancer

          -  Defined area of recurrence on imaging

          -  Previous head and neck radiation (RT) to >/= 50 Gy

          -  Performance status score 0-1

          -  Time interval from previous RT >/= 9 months

          -  Volume of disease appropriate for protocol treatment

          -  Minimum estimated survival of >/= 3 months

          -  Age >/= 18

          -  Adequate labs

        Exclusion Criteria:

          -  Primary tumors of the salivary gland

          -  Original pathology report and radiation therapy records not available

          -  Prior spinal cord dose > 45 Gy

          -  Surgery or chemotherapy within 4 weeks

          -  Prior invasive malignancy (except non-melanomatous skin cancer) unless disease free
             for a minimum of 3 years; noninvasive cancers are permitted
Clinical trial NCT02111551 (phase 1, status: terminated)
Conditions: autism
ICD codes: Z13.41
Drugs: dmxb-a 150 mg, dmxb-a 75 mg
SMILES: [H]\C(=C1\CCCN=C1C1=CN=CC=C1)C1=C(OC)C=C(OC)C=C1, [H]\C(=C1\CCCN=C1C1=CN=CC=C1)C1=C(OC)C=C(OC)C=C1
Reason stopped: 
    difficult to find participants and no funding
  
Eligibility criteria:

        Inclusion Criteria:

          -  age 18-50

          -  meet DSM-5 criteria for Autism Spectrum Disorder, Levels 1 or 2, as defined by Autism
             Diagnostic Observation Schedule

          -  non-smoking persons

          -  in good health

        Exclusion Criteria:

          -  persons with estimated verbal and nonverbal IQ < 70.

          -  abuse of other substances.

          -  Persons not sufficiently fluent in English to permit testing

          -  those with history of severe head injury

          -  Fragile X Syndrome

          -  Rett Syndrome
Clinical trial NCT02112799 (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:

        Healthy volunteers may be male or female between 18 and 65 years old with a BMI of
        18-32kg/m2. They must be in good health not have any health condition which could interfere
        with the absorption, distribution or elimination of study drug, or with the clinical and
        laboratory assessments in this study.

        Patients enrolling in Part II of the study, may be male or female between 18 and 65 years
        of age, with a BMI of 18-35kg/m2. Patients must have HBeAg positive, chronic hepatitis B
        with no history of clinical decompensation, and must not have been treated for hepatitis B
        before.
Clinical trial NCT02116010 (phase 1/phase 2, status: unknown status)
Conditions: wound infection
ICD codes: O86.00, O86.01, O86.02, O86.09, O86.03
Drugs: e. coli phages cocktail, standard of care : silver sulfadiazine, p. aeruginosa, phages cocktail
SMILES: CNC[C@H](O)C1=CC(O)=C(O)C=C1, NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1, CNC[C@H](O)C1=CC(O)=C(O)C=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Man or woman

          -  Adult Informed consent obtained from patient or next of kin

          -  In-hospital patient treated for burn wounds in a burn unit

          -  Burn wound (grafted or not) or graft harvesting area, presenting local signs of
             infection defined by SFETB criteria:

               -  A local or loco-regional inflammatory reaction;

               -  And/or an adverse and unexpected local evolution;

               -  And/or regarding burn wounds: presence of pus, fast spontaneous debridement and
                  separation, occurrence of blackish spots (necrosis or haemorrhage), unexplained
                  conversion from a superficial lesion to a deep one (> 48th hour);

               -  And/or regarding graft donor sites: presence of pus, unexplained delay in
                  epidermisation, bedsore;

               -  And/or regarding graft recipient sites: presence of pus, lysis of grafts,
                  necrosis of fat located under the graft.

          -  Burn wounds with a microbiologically documented infection, as defined by positive
             surface swab, due to Escherichia coli or Pseudomonas aeruginosa whatever their
             resistance profile

          -  Treated by povidone-iodine

        Exclusion Criteria:

          -  Pregnant or breastfeeding woman

          -  Intercurrent condition requiring a treatment which may interfere with analysis
             results: such as high dose of chronic corticotherapy, immunosuppressive medication,
             oncologic chemotherapy

          -  Patient included in an interventional research protocol with therapeutic intervention
             still ongoing upon inclusion time or having participated into anti-infective drug
             trials during the previous month.

          -  Patient considered as part of a vulnerable population

          -  Patient for whom treatment limitation or withdrawal during study period is considered

          -  Allergy to Silver Sulfadiazine
Clinical trial NCT02120339 (phase 1, status: terminated)
Conditions: pulmonary hypertension, cardiac mri <40
ICD codes: I27.0, I27.20, I27.21, I27.24, I27.29, P29.30, I27.22
Drugs: carvedilol
SMILES: COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2
Reason stopped: 
    low enrollment
  
Eligibility criteria:

        Inclusion Criteria:

          1. Subjects will be eligible to participate in the study if all of the following
             conditions exist:

          2. Age > 18 years

          3. WHO category 1 pulmonary arterial hypertension (Dana Point 2008)

          4. WHO functional class II-III

          5. RVEF by cardiac MRI < 40%

          6. Mean pulmonary artery pressure > 40 mm Hg

          7. Stable on PAH-specific therapy as defined by no change in PAH-specific treatment and
             functional class in the past 3 months. Patient can be on either mono or combination
             PAH-specific therapy

        Exclusion Criteria:

          -  1. Subjects will be excluded from participation in the study if any of the following
             conditions exist: 2. Significant persistent bradycardia (resting heart rate < 60 bpm)
             without a permanent pacemaker 3. Second or third degree AV block without a permanent
             pacemaker 4. Significant sinus tachycardia (resting heart rate > 100 bpm) 5. Use of
             anti-arrhythmic drugs 6. Hypotension defined as systolic blood pressure < 100 mmHg at
             the time of enrollment 7. Significant illness in the past 30 days requiring
             hospitalization 8. Acute decompensated right heart failure within past 30 days 9.
             Known allergy or intolerance to carvedilol or other β blockers 10. Cardiac index < 2
             l/min/m2 or right atrial pressure > 15 mm Hg 11. Asthma
Clinical trial NCT02121483 (phase 1, status: completed)
Conditions: diabetes mellitus, type 2
ICD codes: E11.65, E11.9, E11.21, E11.36, E11.41, E11.42, E11.44
Drugs: empagliflozin medium dose, empagliflozin high dose, empagliflozin low dose
SMILES: CN(C)C(=N)NC(N)=N, [H][C@@]1(CCOC1)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1, [H][C@@]1(CCOC1)OC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1
Eligibility criteria:

        Inclusion criteria:

          -  Children and adolescents with type 2 diabetes mellitus

          -  Insufficient glycaemic control (HbA1c <=10.5%) despite diet and exercise and/or
             metformin and/or stable basal or MDI insulin

          -  Negative for Islet Cell Antigen and Glutamic Acid Decarboxylase autoantibodies and
             fasting C-peptide levels >= 0.85 ng/ml

          -  BMI > 50th percentile for age and sex

        Exclusion criteria:

          -  Uncontrolled hyperglycaemia with a glucose level > 240 mg/dl (> 13.3 mmol/l)

          -  History of acute metabolic decompensation such as diabetic ketoacidosis within 3
             months before the screening visit with the exception of acute de-compensation at the
             time of type 2 diabetes diagnosis

          -  Treatment with weight reduction medications within 4 weeks before randomisation
Clinical trial NCT02131298 (phase 1, status: completed)
Conditions: healthy
ICD codes: Z76.3, Z76.2
Drugs: palbociclib alone, palbociclib plus itraconazole
SMILES: CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O, [Na+].CC([O-])=O
Eligibility criteria:

        Inclusion Criteria:

          -  Healthy male and/or female subjects of non-childbearing potential between the ages of
             18 and 55 years, inclusive.

          -  Body mass index of 17.5 to 30.5 kg/m2, and a total body weight >50 kg (110 lbs).

          -  Evidence of a personally signed and dated informed consent document indicating that
             the subject has been informed of all pertinent aspects of the study.

          -  Subjects who are willing and able to comply with all scheduled visits, treatment plan,
             laboratory tests, and other study procedures.

        Exclusion Criteria:

          -  Evidence or history of clinically significant hematological, renal, endocrine,
             pulmonary, gastrointestinal, cardiovascular, hepatic, psychiatric, neurologic, or
             allergic diseases.

          -  Any condition possibly affecting drug absorption.

          -  A positive urine drug screen or alcohol breath test.

          -  Pregnant female subjects; breast feeding female subjects, female subjects of
             childbearing potential, male subjects with partners currently pregnant, male subjects
             of childbearing potential who are unwilling or unable to use a highly effective method
             of contraception as outlined in this protocol for the duration of the study and for 90
             days after the last dose of investigational product.
Clinical trial NCT02133742 (phase 1, status: completed)
Conditions: renal cell carcinoma
ICD codes: C22.0, C4A.9, C7B.1, C4A.0, C4A.31, C4A.51, C4A.8
Drugs: axitinib, mk-3475
SMILES: [H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically or cytologically confirmed advanced RCC with predominantly clear-cell
             subtype with primary tumor resected

          -  At least one measureable lesion as defined by Response Evaluation Criteria In Solid
             Tumors (RECIST) version 1.1.

          -  Eastern Cooperative Oncology Group performance status 0 or 1

          -  Controlled hypertension

        Exclusion Criteria:

          -  Prior treatment with systemic therapy for advanced RCC

          -  Prior adjuvant or neoadjuvant therapy if disease progression or relapse has occurred
             during or within 12 months after the last dose of treatment

          -  Prior treatment with any agent specifically targeting T-cell co-stimulation or
             checkpoint pathways

          -  Active seizure disorder or evidence of brain metastases, spinal cord compression, or
             carcinomatous meningitis

          -  Diagnosis of any non-RCC malignancy occurring within 2 years prior to the date of
             randomization except for adequately treated basal cell or squamous cell skin cancer,
             or carcinoma in situ of the breast or of the cervix or low grade prostate cancer with
             no plans for treatment intervention

          -  In past 12 months: myocardial infarction, uncontrolled angina, coronary/peripheral
             artery bypass graft, symptomatic congestive heart failure, cerebrovascular accident,
             or transient ischemic attack

          -  In past 6 months: deep vein thrombosis or pulmonary embolism
Clinical trial NCT02134314 (phase 1/phase 2, status: completed)
Conditions: end stage renal disease, kidney failure, delayed graft function, ischemic reperfusion injury
ICD codes: N18.6, I12.0, I13.11, I13.2, N19, T86.12, N17.8, N17.9, O90.4, N99.0, N17.0, R94.120, R94.121, H02.59, H57.00, H57.09, F82, H81.8X3
Drugs: c1 esterase inhibitor, 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:

          -  18-70 yrs of age; recipient of ECD/DCD/ECD&DCD with risk index 3-8 for DGF based on
             specific criteria

          -  recipient who are ABO compatible with donor allograft

          -  pretransplant with meningococcal vaccination

          -  understand and sign a written consent prior to any study specific procedure.

        Risk index (minimum 3- maximum 8):

        DGF scale: Donor Age (<40yr = 0, 41-49yr = 1, 50-54yr = 2, 55-59yr = 3, >60yr=6), Cold
        Ischemia Time (0-12= 0, 13-18=1, 19-24=2, 24-30=3, 31-36=4, >37=6; Recipient Race (nonblack
        = 0, black =1); Donor death due to Cerebrovascular Accident (CVA) (donor age <50yrs = 0,
        donor age >50yrs = 3).

        Exclusion Criteria:

          -  patients with known prothrombotic disorder (e.g. factor V leiden)

          -  history of thrombosis or hypercoagulable state excluding access clotting

          -  history of administration of C1INH containing products or recombinant C1INH within 15
             days prior to study entry

          -  patients with known contraindication to treatment with C1INH

          -  patients with abnormal coagulation function (INR >2, partial thromboplastin time (PTT)
             > 50, platelets <80,000)

          -  who are not on anti-coagulation

          -  patients with known active presence of malignancies

          -  Polymerase chain reaction (PCR) positive for hep B/hep C/or HIV

          -  preemptive kidney transplantation recipient

          -  recipients of multi-organ transplants (kidney and any other organ)

          -  recipients of kidney allograft from DD who: cold ischemia time (CIT) <18h, terminal
             serum creatinine </= 1mg/dl, recipient of kidney allograft that was on pump
             preservation for any period prior to transplantation, recipient of kidney allograft
             from a living donor, female subject who are pregnant or lactating.
Clinical trial NCT02136342 (phase 1, status: terminated)
Conditions: advanced cancer
ICD codes: K74.02, G47.22, H35.3133, H35.3134, H35.3113, H35.3114, H35.3123
Drugs: chlorogenic acid
SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O
Reason stopped: 
    study site change
  
Eligibility criteria:

        Inclusion Criteria:

          -  advanced cancer with no effective treatment

          -  Karnofsky performance status no less than 70

          -  adequated organ function

          -  informed consent

        Exclusion Criteria:

          -  allergic to chlorogenic acid

          -  persistent toxicities from previous treatment (no less than grade 2)
Clinical trial NCT02141477 (phase 1, status: terminated)
Conditions: leukemia
ICD codes: C95.91, C95.92, Z80.6, Z85.6, C90.11, C90.12, C91.01
Drugs: omacetaxine, decitabine
SMILES: [H][C@@]1(OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@]13[H], CN(C)\N=N\C1=C(N=CN1)C(N)=O
Reason stopped: 
    slow accrual-2 patients were registered phase i and none in phase ii
  
Eligibility criteria:

        Inclusion Criteria:

          1. Previously untreated AML (>/= 20% blasts) or AML M6. Patients with high-risk
             (intermediate-2 or high by IPSS or >/= 10% blasts) MDS will also be eligible. Prior
             therapy with hydroxyurea, biological or targeted therapy (e.g. flt3 inhibitors, other
             kinase inhibitors, azacitidine), or hematopoietic growth factors is allowed. No prior
             chemotherapy is allowed except for a single or a two day dose of cytarabine (up to 3
             g/m2) for emergency use is also allowed as prior therapy.

          2. Age >/= 70 years.

          3. Eastern Cooperative Oncology Group (ECOG) performance status </= 2.

          4. Adequate hepatic (serum total bilirubin </= 1.5 x ULN, serum glutamate pyruvate
             transaminase (SGPT) and/or SGOT </= 2.5 x ULN) and renal function (creatinine </= 2.0
             mg/dL).

          5. Patients must be willing and able to review, understand, and provide written consent
             before starting therapy.

          6. Men of childbearing potential who agree to use contraception prior to study entry and
             for the duration of participation.

        Exclusion Criteria:

          1. New York Heart Association (NYHA) class III or IV heart disease, active ischemia or
             any other uncontrolled cardiac condition such as angina pectoris, clinically
             significant cardiac arrhythmia and requiring therapy, uncontrolled hypertension (blood
             pressure >/= 160 systolic and >/= 110 diastolic not responsive to antihypertensive
             medication), uncontrolled diabetes mellitus, or congestive heart failure.

          2. Myocardial infarction in the previous 12 weeks (from the start of treatment).

          3. Active and uncontrolled disease/infection as judged by the treating physician.

          4. Acute promyelocytic leukemia (APL).
Clinical trial NCT02142777 (phase 1, status: completed)
Conditions: alzheimer's disease
ICD codes: G30.8, G30.9, G30.0, G30.1
Drugs: s -equol, 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:

          -  Very mild (CDR 0.5) or mild (CDR 1) AD at time of last KU ADC assessment

          -  Have a study partner

          -  Speak English as primary language

        Exclusion Criteria:

          -  No viable study partner

          -  Report a potentially confounding, serious medical risk such as type 1 diabetes,
             cancer, or a recent cardiac event (i.e. heart attack, angioplasty, etc.)

          -  Use any type of estrogen replacement therapy
Clinical trial NCT02153437 (phase 1, status: terminated)
Conditions: atrial fibrillation
ICD codes: I48.0, I48.21, I48.91, I48.11, I48.19, I48.20
Drugs: bms-919373, sotalol, placebo for bms-919373
SMILES: CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Reason stopped: 
    insufficient enrollment
  
Eligibility criteria:

        For more information regarding BMS clinical trial participation, please visit
        www.BMSStudyConnect.com

        Inclusion Criteria:

          -  Age 18 years to 85 years

          -  Eligible patients will have a dual-chamber permanent pacemaker

          -  Women who are not of childbearing potential

        Exclusion Criteria:

          -  Patients with a history of Atrial Fibrillation (AF) that is either

               -  (i) Permanent (i.e. patients are only in AF and never in sinus rhythm) or

               -  (ii) Persistent (i.e. patients who's episodes of AF are longer than 7 days and
                  require medical intervention, such as electrical or medical cardioversion, to
                  return to sinus rhythm), are excluded

          -  History of Transient Ischemic Attack (TIA) or stroke in the last 12 months

          -  History of clinically significant ventricular arrhythmia (not including isolated
             monomorphic Premature Ventricular Contractions (PVCs)). Such arrhythmias are marked by
             loss of consciousness, emergent cardioversion or defibrillation or unstable vital
             signs requiring medical intervention

          -  Complete heart block

          -  Planned surgery, endovascular intervention or cardioversion within the study period

          -  History of atrial fibrillation
Clinical trial NCT02154776 (phase 1, status: completed)
Conditions: advanced or metastatic breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: lee011, buparlisib, letrozole
SMILES: CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1, N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N, N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N
Eligibility criteria:

        Inclusion Criteria:

          1. Women with advanced (recurrent or metastatic) breast cancer who received no prior
             therapy for advanced disease.

          2. Patient is postmenopausal.

          3. Patient may have received ≤ 2 lines of chemotherapy for metastatic or recurrent breast
             cancer in the dose-escalation phase.

          4. Patient has a histologically and/or cytologically confirmed diagnosis of
             estrogen-receptor positive and/or progesterone receptor positive breast cancer by
             local laboratory.

          5. Patient has HER2-negative breast cancer defined as a negative in situ hybridization
             test or an IHC status of 0, 1+ or 2+. If IHC is 2+, a negative in situ hybridization
             (FISH, CISH, or SISH) test is required by local laboratory testing.

          6. Patient must have either:

               -  Measurable disease, i.e., at least one measurable lesion as per RECIST 1.1
                  criteria or at least one predominantly lytic bone lesion

        Exclusion Criteria:

          1. Patient who received any CDK4/6 or PI3K inhibitor.

          2. Patient has active cardiac disease or a history of cardiac dysfunction including any
             of the following:

               -  History of angina pectoris, symptomatic pericarditis, or myocardial infarction
                  within 12 months prior to study entry

               -  History of documented congestive heart failure (New York Heart Association
                  functional classification III-IV)

               -  Documented cardiomyopathy

               -  Patient has a Left Ventricular Ejection Fraction (LVEF) < 50% as determined by
                  Multiple Gated acquisition (MUGA) scan or echocardiogram (ECHO)

               -  History of any cardiac arrhythmias, e.g., ventricular, supraventricular, nodal
                  arrhythmias, or conduction abnormality in the previous 12 months.

               -  On screening, any of the following cardiac parameters: bradycardia (heart rate <
                  50 at rest), tachycardia (heart rate > 90 at rest), PR interval > 220 msec, QRS
                  interval >109 msec, or QTcF >450 msec.

             Systolic blood pressure >160 or <90 mmHg

          3. Patient is currently receiving any of the following medications:

               -  That are known strong inducers or inhibitors of CYP3A4.

               -  That have a known risk to prolong the QT interval or induce Torsades de Pointes.

               -  That have a narrow therapeutic window and are predominantly metabolized through
                  CYP3A4.

          4. Certain scores on an anxiety and depression mood questionnaires