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Application

Discovery Studio 1.0 Materials Studio 0.6995884773662552 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08849557522123894 Amorphous Cell 0.14823008849557523 Blends 0.0 CASTEP 0.2411504424778761 CDOCKER 0.21238938053097345 CHARMm 0.2809734513274336 COMPASS 0.2853982300884956 COMPASS III 0.048672566371681415 COSMObase 0.0 COSMOconf 0.0 COSMOquick 0.0 COSMOtherm 0.024336283185840708 Catalyst 0.2721238938053097 Classical Simulations 0.8694690265486725 Crystallization 0.11946902654867257 DFTB Plus 0.0 DMol3 0.13938053097345132 Forcite 0.40707964601769914 GULP 0.011061946902654867 LUDI 0.004424778761061947 LibDock 0.0752212389380531 LigandFit 0.0022123893805309734 MODELER 0.1415929203539823 Morphology 0.017699115044247787 QSAR 0.0 Quantum Mechanics 0.3827433628318584 Reflex 0.09734513274336283 Reflex Plus 0.0 Semi-empirical 0.0 Sorption 0.03982300884955752 Visualization 1.0 X-Cell 0.0022123893805309734 ZDOCK 0.0

Year

2023 0.0 2024 0.6377049180327868 2025 1.0 2026 0.44754098360655736

Keywords

synthesized 1.0 target 0.9363295880149812 synthesis 0.34269662921348315 docking 0.3342696629213483 potential 0.2949438202247191 novel 0.26685393258426965 visualization 0.22846441947565543 compound 0.16853932584269662 analysis 0.1544943820224719 promising 0.14325842696629212 activity 0.1151685393258427 binding 0.09644194756554307 between 0.06460674157303371 design 0.06367041198501873 inhibition 0.060861423220973786 potent 0.052434456928838954 vitro 0.04588014981273408 silico 0.0299625468164794 effective 0.019662921348314606 experimental 0.011235955056179775 cell 0.010299625468164793 drug 0.010299625468164793 designed 0.006554307116104869 development 9.363295880149813E-4 performance 0.0
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