Scribd Logo
Upload

Welcome to Scribd!

  • pIC50 X σp: f (x) = - 0.3234162361x + 1.3245027077 R² = 0.3464755126

    Uploaded by

    Ísis Nonato
    7 views6 pages
    The document contains numerical data from a study measuring various properties of chemical compounds including pIC50 values, lipophilicity values (π, logPapp, logPcalc), electronic properties (σp, τ, R, δC=0, MR4) and the absolute difference (|Δ|) between two pIC50 measurements. Linear regression analysis was performed between several of these properties with modest correlation observed between some relationships such as pIC50 vs σp and pIC50 vs logPapp.

    Original Description:

    grswggg

    Original Title

    Lista 1-Ex. 5

    Copyright

    © © All Rights Reserved

    Available Formats

    XLSX, PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    Report this Document
    The document contains numerical data from a study measuring various properties of chemical compounds including pIC50 values, lipophilicity values (π, logPapp, logPcalc), electronic properties (σp, τ, R, δC=0, MR4) and the absolute difference (|Δ|) between two pIC50 measurements. Linear regression analysis was performed between several of these properties with modest correlation observed between some relationships such as pIC50 vs σp and pIC50 vs logPapp.

    Copyright:

    © All Rights Reserved
    Download as XLSX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    7 views6 pages

    pIC50 X σp: f (x) = - 0.3234162361x + 1.3245027077 R² = 0.3464755126

    Uploaded by

    Ísis Nonato
    The document contains numerical data from a study measuring various properties of chemical compounds including pIC50 values, lipophilicity values (π, logPapp, logPcalc), electronic properties (σp, τ, R, δC=0, MR4) and the absolute difference (|Δ|) between two pIC50 measurements. Linear regression analysis was performed between several of these properties with modest correlation observed between some relationships such as pIC50 vs σp and pIC50 vs logPapp.

    Copyright:

    © All Rights Reserved
    Download as XLSX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 6

    pIC50

    a
    2.97
    3.08
    3.93
    4.1
    2.98
    3.12
    3.78
    0
    2.74
    3.15
    2.55

    b
    2.92
    3.16
    3.81
    4.15
    3.05
    3.29
    3.36
    2.98
    2.85
    3.34
    2.43

    ||
    0.05
    -0.08
    0.12
    -0.05
    -0.07
    -0.17
    0.42
    -0.03
    -0.11
    -0.19
    0.12

    lipofilico

    log Papp
    0
    -0.38
    0.56
    0.23
    2.13
    1.87
    3.1
    2.76
    -0.02
    -0.07
    0.71
    0.54
    0.86
    0.73
    -0.28
    -0.24
    -0.57
    -0.56
    0.88
    0.68
    -1.63
    -1.63

    eletronicos
    log Pcalc
    4.88
    5.38
    6.97
    8.02
    5.08
    5.79
    5.94
    5.05
    4.78
    6.12
    3.89

    p
    0
    -0.17
    -0.16
    -0.16
    0.27
    0.23
    0.23
    0.78
    0.66
    0.54
    0.72

    0
    0.01
    -0.01
    -0.06
    0.26
    0.42
    0.45
    0.65
    0.51
    0.38
    0.53

    p
    1

    0.8 f(x) = - 0.2282468963


    R = 0.4697377792
    0.6
    p

    0.4

    0.2
    0.7 0
    f(x) 0.5
    = - 0.148022307x
    1
    1.5
    0.6 0
    -0.2 R = 0.3960978207
    0.5
    -0.4
    0.30.4
    0.2
    p
    0.3
    = - 0.0807609901x + 0
    0.1 f(x)171
    0.2
    0 R = 0.1686026044
    0.1 170.5
    0.5
    1
    1.5
    2
    2
    -0.10
    R
    170
    0
    -0.2
    0
    0.5
    1
    1.5
    2
    -0.1 3.5
    169.5 f(x) = 0.23762099
    -0.3
    R = 0.124484819
    -0.4
    C=0
    3169
    pIC
    -0.5
    168.5
    2.5
    -0.6
    2168
    pIC50
    MR4 1.5
    167.5
    0
    0.5 1 1.5
    1 f(x) = 0.2908074883x
    p
    0.5 R = 0.1610839171

    pI

    pIC

    0
    0

    0.5

    1.5

    0
    0

    0.5

    1.5

    eletronicos
    R
    0
    -0.18
    -0.15
    -0.09
    -0.51
    -0.19
    -0.22
    0.13
    0.15
    0.16
    0.19

    C=0
    170.4
    170.37
    170.4
    170.37
    169.96
    169.18
    169.27
    169.29
    168.54
    168.96
    168.64

    MR4
    0.1
    0.57
    1.96
    2.89
    0.79
    0.6
    0.89
    0.74
    0.63
    0.5
    1.35

    pIC
    0.5
    0.4

    pIC

    0.3

    pIC50 X p

    ||

    0.2
    0.1

    0.8 f(x) = - 0.2282468963x + 0.9395635855


    R = 0.4697377792
    pIC50(a)
    0.6
    f(x) = - 0.5220802269x + 1.9445741108
    Linear (pIC50(a))
    R = 0.4503197682
    0.4

    pIC50 X

    pIC50(b)
    0.2
    Linear (pIC50(b))
    .7 0
    f(x) 0.5
    = - 0.148022307x
    1
    1.5
    2+ 0.7214475224
    2.5
    3
    3.5
    4
    4.5
    .6 0
    -0.2 R = 0.3960978207
    .5
    pIC50(a)
    f(x) = - 0.3234162361x + 1.3245027077
    -0.4
    .4
    R = 0.3464755126
    Linear (pIC50(a))
    pIC50
    .3
    pIC50(b)
    f(x) = - 0.0807609901x + 0.173332371
    pIC50(a)
    .2 171
    Linear (pIC50(b))
    R = 0.1686026044
    f(x) = - 0.1557931052x + 0.4359753033
    Linear
    (pIC50(a))
    .1 170.5
    0.5
    1
    1.5
    2
    2.5
    3
    3.5
    4
    4.5
    R = 0.1149630479
    f(x)
    =
    0.8719595631x
    +
    166.7786317308
    pIC50(b)
    0 170
    pIC50(a)
    0
    0.5
    1
    1.5
    2
    2.5 R =
    3 0.3071427434
    3.5
    4
    4.5
    Linear
    (pIC50(b))
    .1 3.5
    Linear
    (pIC50(a))
    169.5 f(x) = 0.2376209941x + 168.8800981629
    R = 0.1244848191
    pIC50(b)
    3169
    pIC50
    Linear
    (pIC50(b))
    168.5
    2.5
    pIC50(a)

    pIC50 X R

    pIC50 X C=0
    pIC50 X MR4

    Linear (pIC50(a))
    2168
    f(x) = 1.1289568181x - 2.6252121775
    pIC50
    167.5
    pIC50(b)
    1.5
    R = 30.4448324545
    0
    0.5 1 1.5
    2
    2.5
    3.5
    4
    4.5
    Linear (pIC50(b))
    1 f(x) = 0.2908074883x + 0.1452579434
    pIC50
    R
    =
    0.1610839171
    0.5
    0
    0

    0.5

    1.5

    2.5

    pIC50

    3.5

    4.5

    0 f(x) = 0.0329240681x - 0.0


    f(
    0 0.5 1 1.5 2 2.5f(x
    2 -0.1 R = 0.043307782
    R
    R
    -0.2
    3
    1 f(x) = 0.6985959367x
    - 1.53586
    -0.3
    R
    =
    0.3529678469
    2
    0
    0
    0.5
    1
    2
    2.5
    10 1.5 pIC50
    -1
    1
    8f(x) = 0.614776094
    Log
    Papp
    -2
    0 R = 0.3178515573
    06 0.5
    1pIC50
    1.5
    f(x) = 0.5821483
    Log P calc -1
    4 R = 0.31474498

    pIC50

    pIC5

    -2 2
    0
    0

    0.5

    1.5

    0
    0

    0.5

    1.5

    2.5

    pIC50

    3.5

    4.5

    pIC50 X ||
    pIC50 X

    pIC50 (a) X ||
    Linear (pIC50 (a) X ||)
    pIC50(b) X ||

    pIC50 X Log Papp

    Linear (pIC50(b) X ||)


    f(x) = 0.0329240681x - 0.0960672552
    f(x)3
    2.7333952547x
    8.2598353002
    0.5 1 1.5 2 2.5f(x)
    3.5 4 4.5 - -0.0038867004
    ==0.0014927477x
    pIC50(a)
    R = 0.043307782
    R==1.63122020463424E-005
    0.9901219773
    R
    Linear (pIC50(a))
    3
    Pic50(b)
    = 0.6985959367x - 1.5358643954
    f(x) = 2.5473615684x - 7.826705257
    = 0.3529678469
    Linear (Pic50(b))
    2
    R = 0.9999364002
    pIC50(a)
    0.5
    1
    2
    2.5
    3
    3.5
    4
    4.5
    10 1.5 pIC50

    pIC50 X Log Pcalc

    Linear (pIC50(a))
    8f(x) = 0.6147760945x - 1.4535223146
    pIC50(b)
    pIC50(a)
    f(x) = 2.4120771585x - 2.1220733437
    0 R = 0.3178515573
    Linear
    6
    R 3
    = 0.9900900212
    0 0.5
    1.5 2 2.5
    3.5 4 4.5
    Linear(pIC50(b))
    (pIC50(a))
    pIC50
    f(x) = 1
    0.5821483384x
    + 3.9125812579
    1

    pp

    calc -1

    pIC50(b)

    4 R = 0.3147449877

    Linear (pIC50(b))

    -2 2
    0
    0

    0.5

    pIC50
    1.5 2 2.5
    pIC50

    3.5

    4.5

    You might also like