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Research: DRUG-SOLUBILITY-PREDICTION Folding Project #18497

Project #18497 overview

Project Summary AI Beta

This project tests using computer simulations to predict how well drugs dissolve in water versus oil. The project looks at different simulation methods and how they affect the results.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
18,193
Core
0xa8
Status
Public
Source material

Official Project Description

A key challenge in computational drug discovery is developing and testing methods to predict experimental partition coefficients for the relative solubility of organic molecules in aqueous vs.

non-polar media.

The logarithm of the partition coeffient, logP, is an important predictor of lipophilicity, which dictates the bioavailability of drugs.

This CPU project is testing expanded-ensemble (EE) simulations as a method for the calculation of logP and seeing if forcefield selection effects these calculations..

Performance data

Hardware Performance for Project 18497

Compare community-sampled Folding@Home output for the GPUs and CPUs processing this project.

Data as of Sunday, 02 August 2026 21:50:45

CPU PPD Averages Beta

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 RYZEN 7 9700X 8-CORE 16 86,902 1,390,432 AMD
2 CORE ULTRA 7 265K 20 68,325 1,366,500 Intel
3 RYZEN 9 9950X 16-CORE 32 34,929 1,117,728 AMD
4 RYZEN 7 7700X 8-CORE 16 58,420 934,720 AMD
5 RYZEN 5 5500 12 68,358 820,296 AMD
6 RYZEN 9 7950X3D 16-CORE 32 23,450 750,400 AMD
7 RYZEN 9 7900X 12-CORE 24 30,227 725,448 AMD
8 RYZEN 7 7800X3D 8-CORE 16 39,074 625,184 AMD
9 RYZEN 9 5950X 16-CORE 32 18,860 603,520 AMD
10 RYZEN 9 7900 12-CORE 24 24,283 582,792 AMD
11 RYZEN 7 5800X3D 8-CORE 16 36,033 576,528 AMD
12 RYZEN 7 5800X 8-CORE 16 32,283 516,528 AMD
13 RYZEN 7 7700 8-CORE 16 32,088 513,408 AMD
14 12TH GEN CORE I7-12700F 20 24,259 485,180 Intel
15 RYZEN THREADRIPPER 3960X 24-CORE 48 9,733 467,184 AMD
16 RYZEN 7 5700X3D 8-CORE 16 28,870 461,920 AMD
17 RYZEN 7 5700X 8-CORE 16 25,726 411,616 AMD
18 13TH GEN CORE I5-13600K 14 26,252 367,528 Intel
19 RYZEN 9 3900X 12-CORE 24 15,100 362,400 AMD
20 12TH GEN CORE I9-12900K 24 13,469 323,256 Intel
21 RYZEN 9 3950X 16-CORE 32 9,133 292,256 AMD
22 RYZEN THREADRIPPER 2950X 16-CORE 32 8,802 281,664 AMD
23 RYZEN 5 5600G 12 23,189 278,268 AMD
24 RYZEN 5 5600 6-CORE 12 23,078 276,936 AMD
25 CORE I9-14900KS 16 15,290 244,640 Intel
26 XEON CPU E5-2683 V4 @ 2.10GHZ 32 7,410 237,120 Intel
27 CORE I7-10700K CPU @ 3.80GHZ 16 14,561 232,976 Intel
28 RYZEN 5 5600X 6-CORE 12 18,839 226,068 AMD
29 RYZEN 7 3700X 8-CORE 16 13,740 219,840 AMD
30 11TH GEN CORE I7-11800H @ 2.30GHZ 16 12,588 201,408 Intel
31 RYZEN 9 3900XT 12-CORE 24 7,254 174,096 AMD
32 CORE I5-10400 CPU @ 2.90GHZ 12 14,226 170,712 Intel
33 RYZEN 7 5800H 16 10,613 169,808 AMD
34 CORE I5-10500T CPU @ 2.30GHZ 12 12,311 147,732 Intel
35 CORE I7-5820K CPU @ 3.30GHZ 12 11,761 141,132 Intel
36 APPLE M1 8 15,586 124,688 Apple
37 11TH GEN CORE I7-11700F @ 2.50GHZ 16 7,165 114,640 Intel
38 XEON CPU X5660 @ 2.80GHZ 24 4,297 103,128 Intel
39 RYZEN 5 5500U 12 8,396 100,752 AMD
40 RYZEN 5 3400G 8 7,879 63,032 AMD
41 12TH GEN CORE I5-12600KF 16 1,747 27,952 Intel