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Goal-directed molecular optimization on PMO

0.81Amlodipine MPO

GenMol

Updated 9d ago

Evaluation Results

Method
GenMol 2026.02	0.81	0.937	0.826	0.96	0.995	0.894	0.986	0.942	0.833	0.906	0.398	0.359	0.982	0.876	0.718	0.942	0.821	0.628	0.584	0.692	0.867	0.584	17.54	-	-
Genetic GFN 2026.02	0.761	0.949	0.802	0.733	0.974	0.856	0.881	0.969	0.897	0.764	0.379	0.294	0.708	0.86	0.595	0.942	0.819	0.615	0.634	0.583	0.511	0.552	16.078	-	-
F-RAG 2026.02	0.749	0.977	0.778	0.936	0.992	0.856	0.969	0.955	0.85	0.904	0.34	0.323	0.671	0.866	0.681	0.939	0.82	0.576	0.601	0.584	0.448	0.486	16.301	-	-
Mol GA 2026.02	0.74	0.928	0.629	0.656	0.95	0.835	0.894	0.926	0.894	0.835	0.329	0.284	0.762	0.853	0.61	0.941	0.83	0.568	0.677	0.544	0.487	0.514	15.686	-	-
GP BO 2026.02	0.72	0.964	0.573	0.672	0.902	0.806	0.877	0.911	0.828	0.785	0.408	0.349	0.93	0.833	0.651	0.947	0.81	0.529	0.474	0.727	0.756	0.499	16.304	-	-
SynGBO 2026.02	0.67	0.947	0.856	0.831	0.981	0.833	0.924	0.975	0.875	0.91	0.357	0.349	0.759	0.856	0.774	0.94	0.839	0.541	0.454	0.647	0.579	0.529	16.426	-	-
GRXForm 2026.02	0.666	0.97	0.862	0.944	0.991	0.829	0.928	0.962	0.795	0.914	0.358	0.277	0.954	0.848	0.569	0.942	0.833	0.588	0.513	0.691	0.504	0.495	16.433	-	-
REINVENT 2026.02	0.644	0.881	0.717	0.662	0.957	0.781	0.885	0.942	0.838	0.782	0.363	0.281	0.634	0.834	0.535	0.941	0.77	0.551	0.47	0.544	0.458	0.533	15.003	-	-
MOLLIBRA-L 2026.01	0.619	0.974	0.709	0.633	0.967	0.741	0.723	0.841	0.828	0.495	0.263	0.282	0.63	0.828	0.526	0.932	0.777	0.536	0.434	0.615	0.412	0.445	14.208	-	-
MOLLIBRA-G 2026.01	0.578	0.904	0.418	0.635	0.867	0.782	0.52	0.905	0.818	0.376	0.335	0.222	0.73	0.765	0.527	0.928	0.757	0.555	0.424	0.437	0.451	0.443	13.376	-	-
Tripp’s GP BO 2026.01	0.555	0.847	0.471	0.605	0.551	0.755	0.477	0.89	0.819	0.398	0.331	0.225	0.556	0.748	0.516	0.929	0.752	0.495	0.353	0.418	0.459	0.419	12.569	-	-
LICO 2026.01	0.541	0.656	0.447	0.596	0.859	0.7	0.617	0.779	0.672	0.336	0.217	0.193	0.423	0.759	0.473	0.925	0.687	0.48	0.315	0.343	0.292	0.404	11.714	-	-
Genetic GFN 2026.01	0.534	0.664	0.447	0.604	0.809	0.682	0.637	0.738	0.656	0.409	0.219	0.204	0.414	0.763	0.462	0.928	0.623	0.485	0.227	0.377	0.277	0.4	11.559	-	-
MOLLEO 2026.01	0.529	0.77	0.365	0.603	0.951	0.714	0.631	0.603	0.601	0.359	0.157	0.207	0.389	0.795	0.469	0.926	0.747	0.491	0.258	0.425	0.271	0.405	11.665	-	-
Graph GA 2026.01	0.501	0.583	0.424	0.581	0.833	0.666	0.523	0.735	0.63	0.301	0.208	0.181	0.362	0.751	0.435	0.914	0.62	0.461	0.229	0.322	0.267	0.374	10.901	-	-
MolReAct 2026.04	0.482	-	0.364	-	0.973	0.712	0.684	-	-	0.5	0.17	0.168	-	0.787	0.473	-	0.777	-	0.337	-	-	0.423	-	0.552	0.88
REINVENT 2026.01	0.472	0.496	0.37	0.572	0.775	0.65	0.589	0.725	0.63	0.315	0.205	0.188	0.379	0.737	0.404	0.921	0.574	0.447	0.261	0.311	0.246	0.406	10.673	-	-
SynFormer 2026.04	0.445	-	0.344	-	0.993	0.716	0.605	-	-	0.466	0.221	0.149	-	0.791	0.439	-	0.746	-	0.281	-	-	0.41	-	0.496	0.909
ReaSyn 2026.04	0.432	-	0.222	-	0.989	0.669	0.649	-	-	0.454	0.172	0.164	-	0.726	0.378	-	0.606	-	0.281	-	-	0.322	-	0.448	0.915
Graph GA 2026.04	0.413	-	0.21	-	0.808	0.613	0.678	-	-	0.386	0.134	0.141	-	0.658	0.335	-	0.245	-	0.236	-	-	0.293	-	0.426	0.877