Musk 2 dataset

1: Description.

The problem consists of determining whether a drug molecule will bind strongly to a target protein. Each molecule may adopt a wide range of shapes or conformations. A positive molecule has at least one shape that can bind well (although it is not known which one) and a negative molecule means none of its shapes can make the molecule bind well. This problem could be represented in a very natural way in MIL settings: each molecule would be a bag and the conformations it can adopt would be the instances in that bag.

2: Type.			Multi instance	
3: Origin.			Real world
4: Instances.		6598
5: Features.		167
6: Classes.			2	
7: Missing values.	No

8: Header.

@relation musk2
@attribute Molecule_name {MUSK-jf66, MUSK-jf58, MUSK-217, MUSK-321, MUSK-294, MUSK-f158, MUSK-212, MUSK-273, MUSK-jf78, MUSK-228, MUSK-jf15, MUSK-jf59, MUSK-224, MUSK-287, MUSK-211, MUSK-jf47, MUSK-215, MUSK-213, MUSK-330, MUSK-jf17, MUSK-jf67, MUSK-284, MUSK-256, MUSK-219, MUSK-214, MUSK-f152, MUSK-238, MUSK-323, MUSK-314, MUSK-jf46, MUSK-240, MUSK-j33, MUSK-333, MUSK-306, MUSK-j51, NON-MUSK-f161, NON-MUSK-271, NON-MUSK-251, NON-MUSK-jf18, NON-MUSK-j90, NON-MUSK-199, NON-MUSK-216, NON-MUSK-f146, NON-MUSK-jp13, NON-MUSK-338, NON-MUSK-288, NON-MUSK-208, NON-MUSK-jp10, NON-MUSK-244, NON-MUSK-305, NON-MUSK-220, NON-MUSK-270, NON-MUSK-j147, NON-MUSK-297, NON-MUSK-334, NON-MUSK-358, NON-MUSK-207, NON-MUSK-192, NON-MUSK-197, NON-MUSK-f164, NON-MUSK-f150, NON-MUSK-j81, NON-MUSK-296, NON-MUSK-232, NON-MUSK-319, NON-MUSK-jf79, NON-MUSK-362, NON-MUSK-327, NON-MUSK-360, NON-MUSK-j84, NON-MUSK-361, NON-MUSK-j129, NON-MUSK-318, NON-MUSK-289, NON-MUSK-252, NON-MUSK-328, NON-MUSK-j148, NON-MUSK-226, NON-MUSK-308, NON-MUSK-309, NON-MUSK-253, NON-MUSK-j146, NON-MUSK-j96, NON-MUSK-295, NON-MUSK-290, NON-MUSK-233, NON-MUSK-332, NON-MUSK-f209, NON-MUSK-j130, NON-MUSK-j100, NON-MUSK-286, NON-MUSK-j83, NON-MUSK-320, NON-MUSK-210, NON-MUSK-249, NON-MUSK-326, NON-MUSK-200, MUSK-322, MUSK-344, MUSK-300, MUSK-331}
@attribute F1 real [-31.0, 292.0]
@attribute F2 real [-199.0, 95.0]
@attribute F3 real [-167.0, 81.0]
@attribute F4 real [-114.0, 161.0]
@attribute F5 real [-118.0, 325.0]
@attribute F6 real [-183.0, 200.0]
@attribute F7 real [-171.0, 220.0]
@attribute F8 real [-225.0, 320.0]
@attribute F9 real [-245.0, 147.0]
@attribute F10 real [-286.0, 231.0]
@attribute F11 real [-328.0, 176.0]
@attribute F12 real [-321.0, 184.0]
@attribute F13 real [-305.0, 195.0]
@attribute F14 real [-342.0, 158.0]
@attribute F15 real [-294.0, 172.0]
@attribute F16 real [-327.0, 80.0]
@attribute F17 real [-224.0, 138.0]
@attribute F18 real [-308.0, 189.0]
@attribute F19 real [-286.0, 225.0]
@attribute F20 real [-252.0, 227.0]
@attribute F21 real [-295.0, 194.0]
@attribute F22 real [-185.0, 190.0]
@attribute F23 real [-253.0, 213.0]
@attribute F24 real [-76.0, 317.0]
@attribute F25 real [-100.0, 277.0]
@attribute F26 real [-242.0, 183.0]
@attribute F27 real [-205.0, 164.0]
@attribute F28 real [-166.0, 145.0]
@attribute F29 real [-142.0, 174.0]
@attribute F30 real [-162.0, 266.0]
@attribute F31 real [-117.0, 309.0]
@attribute F32 real [-143.0, 310.0]
@attribute F33 real [-139.0, 207.0]
@attribute F34 real [-279.0, 160.0]
@attribute F35 real [-160.0, 220.0]
@attribute F36 real [-7.0, 324.0]
@attribute F37 real [-175.0, 147.0]
@attribute F38 real [-190.0, 187.0]
@attribute F39 real [-148.0, 107.0]
@attribute F40 real [-180.0, 194.0]
@attribute F41 real [-188.0, 90.0]
@attribute F42 real [-150.0, 367.0]
@attribute F43 real [-295.0, 225.0]
@attribute F44 real [-343.0, 198.0]
@attribute F45 real [-310.0, 147.0]
@attribute F46 real [-340.0, 161.0]
@attribute F47 real [-159.0, 110.0]
@attribute F48 real [-290.0, 179.0]
@attribute F49 real [-265.0, 273.0]
@attribute F50 real [-279.0, 215.0]
@attribute F51 real [-326.0, 172.0]
@attribute F52 real [-206.0, 177.0]
@attribute F53 real [-206.0, 169.0]
@attribute F54 real [-147.0, 335.0]
@attribute F55 real [-112.0, 269.0]
@attribute F56 real [-279.0, 214.0]
@attribute F57 real [-170.0, 229.0]
@attribute F58 real [-178.0, 113.0]
@attribute F59 real [-172.0, 200.0]
@attribute F60 real [-250.0, 200.0]
@attribute F61 real [-102.0, 254.0]
@attribute F62 real [-196.0, 180.0]
@attribute F63 real [-100.0, 284.0]
@attribute F64 real [-195.0, 225.0]
@attribute F65 real [-165.0, 112.0]
@attribute F66 real [-9.0, 315.0]
@attribute F67 real [-167.0, 234.0]
@attribute F68 real [-195.0, 149.0]
@attribute F69 real [-134.0, 232.0]
@attribute F70 real [-191.0, 158.0]
@attribute F71 real [-174.0, 86.0]
@attribute F72 real [-152.0, 99.0]
@attribute F73 real [-324.0, 181.0]
@attribute F74 real [-333.0, 172.0]
@attribute F75 real [-274.0, 203.0]
@attribute F76 real [-195.0, 21.0]
@attribute F77 real [-259.0, 156.0]
@attribute F78 real [-313.0, 235.0]
@attribute F79 real [-306.0, 193.0]
@attribute F80 real [-202.0, 309.0]
@attribute F81 real [-255.0, 198.0]
@attribute F82 real [-175.0, 201.0]
@attribute F83 real [-299.0, 175.0]
@attribute F84 real [-98.0, 273.0]
@attribute F85 real [-220.0, 193.0]
@attribute F86 real [-203.0, 194.0]
@attribute F87 real [-207.0, 109.0]
@attribute F88 real [-213.0, 172.0]
@attribute F89 real [-111.0, 152.0]
@attribute F90 real [-157.0, 269.0]
@attribute F91 real [-202.0, 235.0]
@attribute F92 real [-16.0, 306.0]
@attribute F93 real [-125.0, 223.0]
@attribute F94 real [-328.0, 184.0]
@attribute F95 real [-119.0, 238.0]
@attribute F96 real [-69.0, 347.0]
@attribute F97 real [-191.0, 165.0]
@attribute F98 real [-190.0, 203.0]
@attribute F99 real [-157.0, 40.0]
@attribute F100 real [-156.0, 237.0]
@attribute F101 real [-209.0, 91.0]
@attribute F102 real [-33.0, 348.0]
@attribute F103 real [-299.0, 173.0]
@attribute F104 real [-324.0, 191.0]
@attribute F105 real [-319.0, 154.0]
@attribute F106 real [-284.0, 212.0]
@attribute F107 real [-200.0, 159.0]
@attribute F108 real [-292.0, 167.0]
@attribute F109 real [-249.0, 200.0]
@attribute F110 real [-291.0, 141.0]
@attribute F111 real [-250.0, 209.0]
@attribute F112 real [-266.0, 214.0]
@attribute F113 real [-224.0, 194.0]
@attribute F114 real [-204.0, 180.0]
@attribute F115 real [-250.0, 216.0]
@attribute F116 real [-257.0, 253.0]
@attribute F117 real [-103.0, 315.0]
@attribute F118 real [-212.0, 156.0]
@attribute F119 real [-196.0, 209.0]
@attribute F120 real [-201.0, 152.0]
@attribute F121 real [-121.0, 267.0]
@attribute F122 real [-117.0, 258.0]
@attribute F123 real [-129.0, 276.0]
@attribute F124 real [-127.0, 227.0]
@attribute F125 real [-144.0, 299.0]
@attribute F126 real [-69.0, 308.0]
@attribute F127 real [-286.0, 219.0]
@attribute F128 real [-221.0, 241.0]
@attribute F129 real [-307.0, 206.0]
@attribute F130 real [-189.0, 122.0]
@attribute F131 real [-123.0, 281.0]
@attribute F132 real [-140.0, 255.0]
@attribute F133 real [-319.0, 176.0]
@attribute F134 real [-338.0, 169.0]
@attribute F135 real [-336.0, 219.0]
@attribute F136 real [-196.0, 125.0]
@attribute F137 real [-197.0, 186.0]
@attribute F138 real [-199.0, 130.0]
@attribute F139 real [-243.0, 202.0]
@attribute F140 real [-283.0, 203.0]
@attribute F141 real [-290.0, 188.0]
@attribute F142 real [-185.0, 184.0]
@attribute F143 real [-157.0, 239.0]
@attribute F144 real [-171.0, 208.0]
@attribute F145 real [-179.0, 213.0]
@attribute F146 real [-106.0, 261.0]
@attribute F147 real [-136.0, 172.0]
@attribute F148 real [-200.0, 130.0]
@attribute F149 real [-213.0, 117.0]
@attribute F150 real [-190.0, 185.0]
@attribute F151 real [-140.0, 244.0]
@attribute F152 real [-128.0, 153.0]
@attribute F153 real [-114.0, 211.0]
@attribute F154 real [-173.0, 120.0]
@attribute F155 real [-143.0, 379.0]
@attribute F156 real [-198.0, 153.0]
@attribute F157 real [-257.0, 145.0]
@attribute F158 real [-328.0, 94.0]
@attribute F159 real [-219.0, 179.0]
@attribute F160 real [-136.0, 192.0]
@attribute F161 real [-120.0, 411.0]
@attribute F162 real [-69.0, 355.0]
@attribute F163 real [73.0, 625.0]
@attribute F164 real [-289.0, 295.0]
@attribute F165 real [-428.0, 168.0]
@attribute F166 real [-471.0, 367.0]
@attribute Class {0, 1}
@inputs Molecule_name, F1, F2, F3, F4, F5, F6, F7, F8, F9, F10, F11, F12, F13, F14, F15, F16, F17, F18, F19, F20, F21, F22, F23, F24, F25, F26, F27, F28, F29, F30, F31, F32, F33, F34, F35, F36, F37, F38, F39, F40, F41, F42, F43, F44, F45, F46, F47, F48, F49, F50, F51, F52, F53, F54, F55, F56, F57, F58, F59, F60, F61, F62, F63, F64, F65, F66, F67, F68, F69, F70, F71, F72, F73, F74, F75, F76, F77, F78, F79, F80, F81, F82, F83, F84, F85, F86, F87, F88, F89, F90, F91, F92, F93, F94, F95, F96, F97, F98, F99, F100, F101, F102, F103, F104, F105, F106, F107, F108, F109, F110, F111, F112, F113, F114, F115, F116, F117, F118, F119, F120, F121, F122, F123, F124, F125, F126, F127, F128, F129, F130, F131, F132, F133, F134, F135, F136, F137, F138, F139, F140, F141, F142, F143, F144, F145, F146, F147, F148, F149, F150, F151, F152, F153, F154, F155, F156, F157, F158, F159, F160, F161, F162, F163, F164, F165, F166
@outputs Class