# Multi-objective Optimization on ZINC-250k (logP-TPSA) Source: [Multi-objective Optimization on ZINC-250k (logP-TPSA)]() Collection index: [llms.txt]() Data updated: 2026-02-26T05:46:44.180Z Evaluation of model performance on optimizing multiple chemical properties (logP and TPSA) simultaneously using the ZINC-250k dataset, measured by the Hypervolume indicator. A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. | Scope | Recorded value | | --- | --- | | Task | Multi-objective Optimization | | Dataset (including any stated split) | ZINC-250k (logP-TPSA) | | Metric | Hypervolume | | Unit | SCALAR | | Direction | Higher is better | | Results loaded | 30 of 30 | | Coverage | All results currently returned for this benchmark | Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol. ## Metrics - [Hypervolume](): Higher is better; unit: SCALAR. ## Recorded results | Method | Hypervolume | Result date | Report paper | | --- | --- | --- | --- | | qPMHI (GA/BGNN) | 2589.04 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (GA/BGNN) | 2550.96 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (GA/BGNN) | 2427.67 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (GA/BGNN) | 2349.8 | Not recorded | 6948d070423ea42265729ec6 | | JANUS | 2302.93 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (GA/BGNN) | 2282.03 | Not recorded | 6948d070423ea42265729ec6 | | Graph-GA | 2270.73 | Not recorded | 6948d070423ea42265729ec6 | | JANUS | 2240.83 | Not recorded | 6948d070423ea42265729ec6 | | JANUS | 2207.73 | Not recorded | 6948d070423ea42265729ec6 | | Graph-GA | 2198.67 | Not recorded | 6948d070423ea42265729ec6 | | Graph-GA | 2137.94 | Not recorded | 6948d070423ea42265729ec6 | | JANUS | 2133.12 | Not recorded | 6948d070423ea42265729ec6 | | Graph-GA | 2132.93 | Not recorded | 6948d070423ea42265729ec6 | | JANUS | 2115.02 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (VAE/GP) | 2112.75 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (VAE/GP) | 2109.19 | Not recorded | 6948d070423ea42265729ec6 | | VAE+BO | 2094.25 | Not recorded | 6948d070423ea42265729ec6 | | VAE+BO | 2089.06 | Not recorded | 6948d070423ea42265729ec6 | | Graph-GA | 2086.6 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (VAE/GP) | 1998.18 | Not recorded | 6948d070423ea42265729ec6 | | VAE+BO | 1934.12 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (VAE/GP) | 1893.88 | Not recorded | 6948d070423ea42265729ec6 | | qPMHI (VAE/GP) | 1863.34 | Not recorded | 6948d070423ea42265729ec6 | | VAE+BO | 1796.12 | Not recorded | 6948d070423ea42265729ec6 | | VAE+BO | 1795.88 | Not recorded | 6948d070423ea42265729ec6 | | MolDQN | 1784.74 | Not recorded | 6948d070423ea42265729ec6 | | MolDQN | 1743.25 | Not recorded | 6948d070423ea42265729ec6 | | MolDQN | 1720.63 | Not recorded | 6948d070423ea42265729ec6 | | MolDQN | 1586.77 | Not recorded | 6948d070423ea42265729ec6 | | MolDQN | 1554.53 | Not recorded | 6948d070423ea42265729ec6 | ### qPMHI (GA/BGNN) Hypervolume: 2589.04. Result ID: 699a34d95698665ec4bad6b4. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"5"}. This record does not assert independent reproduction. ### qPMHI (GA/BGNN) Hypervolume: 2550.96. Result ID: 699a34d95698665ec4bad6b1. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"2"}. This record does not assert independent reproduction. ### qPMHI (GA/BGNN) Hypervolume: 2427.67. Result ID: 699a34d95698665ec4bad6b3. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"4"}. This record does not assert independent reproduction. ### qPMHI (GA/BGNN) Hypervolume: 2349.8. Result ID: 699a34d95698665ec4bad6b0. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"1"}. This record does not assert independent reproduction. ### JANUS Hypervolume: 2302.93. Result ID: 699a34d95698665ec4bad6a0. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"5"}. This record does not assert independent reproduction. ### qPMHI (GA/BGNN) Hypervolume: 2282.03. Result ID: 699a34d95698665ec4bad6b2. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"3"}. This record does not assert independent reproduction. ### Graph-GA Hypervolume: 2270.73. Result ID: 699a34d95698665ec4bad6a2. [Reporting paper]() Recorded evaluation configuration: {"Run":"2"}. This record does not assert independent reproduction. ### JANUS Hypervolume: 2240.83. Result ID: 699a34d95698665ec4bad69c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"1"}. This record does not assert independent reproduction. ### JANUS Hypervolume: 2207.73. Result ID: 699a34d95698665ec4bad69d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"2"}. This record does not assert independent reproduction. ### Graph-GA Hypervolume: 2198.67. Result ID: 699a34d95698665ec4bad6a1. [Reporting paper]() Recorded evaluation configuration: {"Run":"1"}. This record does not assert independent reproduction. ### Graph-GA Hypervolume: 2137.94. Result ID: 699a34d95698665ec4bad6a4. [Reporting paper]() Recorded evaluation configuration: {"Run":"4"}. This record does not assert independent reproduction. ### JANUS Hypervolume: 2133.12. Result ID: 699a34d95698665ec4bad69f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"4"}. This record does not assert independent reproduction. ### Graph-GA Hypervolume: 2132.93. Result ID: 699a34d95698665ec4bad6a5. [Reporting paper]() Recorded evaluation configuration: {"Run":"5"}. This record does not assert independent reproduction. ### JANUS Hypervolume: 2115.02. Result ID: 699a34d95698665ec4bad69e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"3"}. This record does not assert independent reproduction. ### qPMHI (VAE/GP) Hypervolume: 2112.75. Result ID: 699a34d95698665ec4bad6af. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"5"}. This record does not assert independent reproduction. ### qPMHI (VAE/GP) Hypervolume: 2109.19. Result ID: 699a34d95698665ec4bad6ac. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"2"}. This record does not assert independent reproduction. ### VAE+BO Hypervolume: 2094.25. Result ID: 699a34d95698665ec4bad698. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"2"}. This record does not assert independent reproduction. ### VAE+BO Hypervolume: 2089.06. Result ID: 699a34d95698665ec4bad69b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"5"}. This record does not assert independent reproduction. ### Graph-GA Hypervolume: 2086.6. Result ID: 699a34d95698665ec4bad6a3. [Reporting paper]() Recorded evaluation configuration: {"Run":"3"}. This record does not assert independent reproduction. ### qPMHI (VAE/GP) Hypervolume: 1998.18. Result ID: 699a34d95698665ec4bad6ae. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"4"}. This record does not assert independent reproduction. ### VAE+BO Hypervolume: 1934.12. Result ID: 699a34d95698665ec4bad69a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"4"}. This record does not assert independent reproduction. ### qPMHI (VAE/GP) Hypervolume: 1893.88. Result ID: 699a34d95698665ec4bad6ab. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"1"}. This record does not assert independent reproduction. ### qPMHI (VAE/GP) Hypervolume: 1863.34. Result ID: 699a34d95698665ec4bad6ad. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"3"}. This record does not assert independent reproduction. ### VAE+BO Hypervolume: 1796.12. Result ID: 699a34d95698665ec4bad697. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"1"}. This record does not assert independent reproduction. ### VAE+BO Hypervolume: 1795.88. Result ID: 699a34d95698665ec4bad699. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"3"}. This record does not assert independent reproduction. ### MolDQN Hypervolume: 1784.74. Result ID: 699a34d95698665ec4bad6aa. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"5"}. This record does not assert independent reproduction. ### MolDQN Hypervolume: 1743.25. Result ID: 699a34d95698665ec4bad6a9. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"4"}. This record does not assert independent reproduction. ### MolDQN Hypervolume: 1720.63. Result ID: 699a34d95698665ec4bad6a7. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"2"}. This record does not assert independent reproduction. ### MolDQN Hypervolume: 1586.77. Result ID: 699a34d95698665ec4bad6a6. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"1"}. This record does not assert independent reproduction. ### MolDQN Hypervolume: 1554.53. Result ID: 699a34d95698665ec4bad6a8. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Run":"3"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.